Cas no 96-20-8 (2-Amino-1-butanol)

2-Amino-1-butanol (CAS 96-20-8) is a chiral amino alcohol with the molecular formula C?H??NO. It serves as a versatile intermediate in organic synthesis, particularly in the production of pharmaceuticals, agrochemicals, and specialty chemicals. The compound’s bifunctional nature, featuring both an amino and a hydroxyl group, enables its use in asymmetric synthesis and as a building block for ligands or catalysts. Its moderate basicity and solubility in polar solvents enhance its utility in various reaction conditions. 2-Amino-1-butanol is also employed in corrosion inhibition and surfactant formulations due to its amphiphilic properties. Proper handling is advised, as it may cause irritation upon exposure.
2-Amino-1-butanol structure
2-Amino-1-butanol structure
Product Name:2-Amino-1-butanol
CAS No:96-20-8
MF:C4H11NO
MW:89.1362411975861
MDL:MFCD00008095
CID:81789
PubChem ID:22129
Update Time:2025-06-22

2-Amino-1-butanol Chemical and Physical Properties

Names and Identifiers

    • (±)-2-Amino-1-butanol
    • (+/-)-2-Amino-1-butanol
    • 2-Amino-1-butanol
    • DL-2-Amino-1-butanol
    • 2-Aminobutan-1-ol
    • 2-Aminobutanol
    • Aminobutanol
    • 2-AMino-n-butyl alcohol
    • ButanolaMine
    • 2-Amino-1-hydroxybutane
    • 2-Aminobutyl alcohol
    • 1-BUTANOL, 2-AMINO-
    • 1-Hydroxy-2-butylamine
    • Butanol-2-amine
    • 1-(Hydroxymethyl)propylamine
    • r-(-)-2-amino-1-butanol
    • 2-Amino-butan-1-ol
    • 1-Butanol, 2-amino-, (S)-
    • JCBPETKZIGVZRE-UHFFFAOYSA-N
    • (+)-2-Amino-1-butanol
    • D-2-Amino Butanol
    • (+/-)-2-Amino
    • 2-Amino-1-butanol (ACI)
    • (RS)-2-Amino-1-butanol
    • 1-Hydroxy-2-aminobutane
    • 1-Hydroxy-sec-butylamine
    • 1-Hydroxybutan-2-amine
    • DL
    • DL-2-Aminobutanol
    • DL-α-Aminobutanol
    • NSC 1068
    • MDL: MFCD00008095
    • Inchi: 1S/C4H11NO/c1-2-4(5)3-6/h4,6H,2-3,5H2,1H3
    • InChI Key: JCBPETKZIGVZRE-UHFFFAOYSA-N
    • SMILES: OCC(CC)N
    • BRN: 1098274

Computed Properties

  • Exact Mass: 89.08410
  • Monoisotopic Mass: 89.084064
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 6
  • Rotatable Bond Count: 2
  • Complexity: 30.7
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 46.2
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: -0.4

Experimental Properties

  • Color/Form: Colorless liquid
  • Density: 0.943?g/mL?at 25?°C(lit.)
  • Melting Point: -2?°C (lit.)
  • Boiling Point: 176-178?°C(lit.)
  • Flash Point: Fahrenheit: 183.2 ° f < br / > Celsius: 84 ° C < br / >
  • Refractive Index: n20/D 1.4510(lit.)
  • PSA: 46.25000
  • LogP: 0.41630
  • Solubility: It can be mixed with water at will and soluble in alcohol and ether. It smells of ammonia.
  • Vapor Pressure: 0.3±0.7 mmHg at 25°C
  • Merck: 427
  • Sensitiveness: Air Sensitive & Hygroscopic

2-Amino-1-butanol Security Information

  • Symbol: GHS05
  • Prompt:dangerous
  • Signal Word:Danger
  • Hazard Statement: H314
  • Warning Statement: P280,P305+P351+P338,P310
  • Hazardous Material transportation number:UN 2735 8
  • WGK Germany:2
  • Hazard Category Code: 22-34-50
  • Safety Instruction: S26-S36/37/39-S45
  • RTECS:EK9625000
  • Hazardous Material Identification: C
  • Packing Group:III
  • Risk Phrases:R34
  • Storage Condition:Store at 4°C,-4At ℃Store…Better
  • HazardClass:8
  • PackingGroup:III
  • TSCA:Yes

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2-Amino-1-butanol Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Hydrogen Catalysts: Palladium Solvents: Methanol ;  20 h, 50 atm, rt; 30 atm
Reference
Chemo-enzymatic synthesis of (S,S)-2,2'-(ethylenediamino)dibutan-1-ol
Yufryakov, V. S.; Tsvetikova, M. A.; Bystrova, N. A.; Kochetkov, K. A., Russian Chemical Bulletin, 2023, 72(5), 1268-1273

Production Method 2

Reaction Conditions
1.1 Reagents: Hydrogen Catalysts: Palladium Solvents: Methanol ;  3 h, 8 - 10 bar, 50 - 55 °C
Reference
Continuous flow process and apparatus for manufacture of DL-2-nitro-1-butanol
, World Intellectual Property Organization, , ,

Production Method 3

Reaction Conditions
1.1 Solvents: Tetrahydrofuran
Reference
Reduction of amino acids to amino alcohols with lithium aluminum hydride. II
Vogl, O.; Pohm, M., Monatshefte fuer Chemie, 1953, 84, 1097-1102

Production Method 4

Reaction Conditions
1.1 Reagents: Trifluoroacetic acid ;  overnight, 80 °C
1.2 Reagents: Sodium bicarbonate Solvents: Water
Reference
Highly efficient and diastereoselective synthesis of 1,3-oxazolidines featuring a palladium-catalyzed cyclization reaction of 2-butene-1,4-diol derivatives and imines
Chen, Dongxu; Chen, Xiaoyi; Du, Taiping; Kong, Lichun; Zhen, Renwei; et al, Tetrahedron Letters, 2010, 51(39), 5131-5133

Production Method 5

Reaction Conditions
1.1 Reagents: Hydrogen Catalysts: Cobalt Solvents: 1,4-Dioxane ;  5 h, 3 MPa, 160 °C
Reference
Racemization of R-2-amino-1-butanol catalyzed by a fixed-bed Raney cobalt catalyst
Zhang, Yuecheng; Bai, Guoyi; Li, Yang; Yan, Xilong; Chen, Ligong, Journal of Molecular Catalysis A: Chemical, 2006, 255(1-2), 269-274

Production Method 6

Reaction Conditions
1.1 Reagents: Hydrogen Catalysts: Nickel Solvents: Toluene ;  5 h, 1.7 MPa, rt → 150 °C
Reference
Synthesis of ethambutol
Bai, Guo-yi; Chen, Li-gong; Xing, Peng; Li, Yang; Yan, Xi-long, Jingxi Huagong, 2004, 21(12), 943-945

Production Method 7

Reaction Conditions
1.1 Reagents: Hydrogen Catalysts: Di-μ-chlorobis[(1,2,5,6-η)-1,5-cyclooctadiene]diiridium ,  (2R)-1-[(1R)-1-(Dimethylamino)ethyl]-2-(diphenylphosphino)ferrocene Solvents: Ethanol
Reference
Homogeneous hydrogenation of nitro aliphatic compounds catalyzed by Group VIII transition metal phosphine complexes
Harsy, Stephen G., Tetrahedron, 1990, 46(21), 7403-12

Production Method 8

Reaction Conditions
1.1 Reagents: Sodium carbonate Catalysts: Barium nitrate ,  Cobalt dinitrate ,  Ferric nitrate ,  Nickel nitrate hexahydrate ,  Zirconium nitrate Solvents: Water ;  pH 7 - 8, 90 °C; 60 min, neutralized, 90 °C; 15 h, 120 °C
1.2 Reagents: Alumina ,  Nitric acid Solvents: Water ;  20 h, 120 °C; 4 h, 50 °C
1.3 Reagents: Hydrogen ;  5 h, 400 °C; 5 MPa, 400 °C → 160 °C
1.4 Reagents: Ammonia Solvents: Benzene ,  1,4-Dioxane ;  160 °C
Reference
Process for preparation of 2-amino-1-alcohols from 1,2-diols
, China, , ,

Production Method 9

Reaction Conditions
1.1 Reagents: Iodine ,  Sodium borohydride Solvents: Tetrahydrofuran ;  30 min, 0 °C; overnight, 90 °C; 90 °C → rt
1.2 Reagents: Potassium hydroxide Solvents: Water ;  4 h, rt
Reference
Highly exo selective, photochemically promoted cyclization of iodoallene derivatives
Jovanovic, Milos; Simic, Milena ; Petkovic, Milos; Tasic, Gordana; Maslak, Veselin; et al, Journal of Heterocyclic Chemistry, 2022, 59(8), 1435-1440

Production Method 10

Reaction Conditions
1.1 Reagents: Hydrogen Catalysts: Tetrakis(triphenylphosphine)palladium Solvents: Methanol ;  20 h, 50 atm, rt
Reference
Method for producing ethambutol
, Russian Federation, , ,

Production Method 11

Reaction Conditions
1.1 Reagents: Sodium methoxide ,  Sodium borohydride Solvents: Methanol ;  20 min, 60 °C
Reference
Borohydride reduction stabilizing system and method for reducing ester into alcohol
, World Intellectual Property Organization, , ,

Production Method 12

Reaction Conditions
1.1 Reagents: Hydrogen Catalysts: Palladium Solvents: Methanol ;  3 h, 8 - 10 bar, 50 - 55 °C
Reference
Continuous flow process and reactor for manufacture of dl-2-nitro-1-butanol for production of dl-2-amino-1-butanol
, India, , ,

Production Method 13

Reaction Conditions
1.1 Reagents: Hydrogen Catalysts: Alumina ,  Magnesium ,  Cobalt ;  5 h, 2.5 MPa, 170 °C
Reference
Racemization of chiral amino alcohols III: Effect of Mg or Ca addition on the activity and stability of the Co/γ-Al2O3 catalyst
Bai, Guoyi; Zhang, Chenfang; Zhang, Yuecheng; Yu, Haijun; He, Fei; et al, Reaction Kinetics and Catalysis Letters, 2007, 90(2), 373-380

Production Method 14

Reaction Conditions
1.1 Reagents: Hydrochloric acid Catalysts: Calcium acetate ,  Iron oxide (Fe2O3) Solvents: Water ;  10 h, 3 MPa, 70 °C
Reference
Catalytic preparation method of aminobutanol
, China, , ,

Production Method 15

Reaction Conditions
1.1 Reagents: Hydrogen Catalysts: Nickel Solvents: Methanol ;  4 - 4.5 MPa, rt → 70 °C
Reference
Synthesis of racemic 2-amino-butanol with microreactor
Zang, Li; Yu, Rong-hua; Qiao, Hao; Liu, Cun-li, Xiandai Huagong, 2015, 35(9), 125-127

Production Method 16

Reaction Conditions
1.1 Reagents: Trifluoroacetic acid Solvents: 1,4-Dioxane ;  overnight, 80 °C
Reference
A palladium-catalyzed protocol for the synthesis of 2-phenyl-3-tosyl-4-vinyloxazolidine
Chen, Chun-chun; Kong, Li-chun; Zhu, Gang-guo, Zhejiang Huagong, 2010, 41(11), 13-16

Production Method 17

Reaction Conditions
1.1 Reagents: Hydrogen Catalysts: Bis[chloro(norbornadiene)rhodium] ,  1,1′-(1-Methyl-1,2-ethanediyl)bis[1,1-diphenylphosphine] Solvents: Ethanol ;  20 h, 68 atm, 60 °C
Reference
Bis(bicyclo[2.2.1]hepta-2,5-diene)-dichlorodirhodium
Watanabe, Yoshihisa; Yorimitsu, Hideki; Oshima, Koichiro, e-EROS Encyclopedia of Reagents for Organic Synthesis, 2008, 1, 1-4

Production Method 18

Reaction Conditions
Reference
Reduction of nitro alcohols via homogeneous catalysis
, United States, , ,

Production Method 19

Reaction Conditions
1.1 Reagents: Sodium borohydride Solvents: Tetrahydrofuran ;  rt
1.2 Reagents: Iodine Solvents: Tetrahydrofuran ;  1 h, 0 °C; 4 h, 67 °C; 67 °C → 25 °C
1.3 Reagents: Methanol ;  25 °C
1.4 Reagents: Potassium hydroxide Solvents: Water ;  3 h, reflux
Reference
New, convenient methods of synthesis and resolution of 1,2-amino alcohols
Periasamy, Mariappan; Sivakumar, Sangarappan; Reddy, Meda Narsi, Synthesis, 2003, (13), 1965-1967

2-Amino-1-butanol Raw materials

2-Amino-1-butanol Preparation Products

2-Amino-1-butanol Suppliers

Tiancheng Chemical (Jiangsu) Co., Ltd
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(CAS:96-20-8)(±)-2-氨基-1-丁醇
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Quantity:25KG,200KG,1000KG
Purity:99%
Pricing Information Last Updated:Friday, 20 June 2025 13:04
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2-Amino-1-butanol Related Literature

Additional information on 2-Amino-1-butanol

2-Amino-1-Butanol (CAS No. 96-20-8): A Comprehensive Overview of Its Synthesis, Applications, and Research Advances

2-Amino-1-butanol, also known as CAS No. 96-20-8, is a versatile organic compound with significant applications in pharmaceutical research, chemical synthesis, and biotechnology. This 2-amino-1-butanol derivative is characterized by its primary amine group and hydroxyl functionality, which enable it to act as a multifunctional intermediate in the development of novel drug candidates. Recent studies have highlighted its potential in modulating cellular signaling pathways and its role in the synthesis of bioactive molecules. The 2-amino-1-butanol molecule has been extensively investigated for its structural properties and reactivity, making it a key component in the design of therapeutic agents.

As a 2-amino-1-butanol compound, its chemical structure provides unique opportunities for functionalization. Researchers have demonstrated that the 2-amino-1-butanol molecule can undergo various reactions, including oxidation, reduction, and substitution, to generate derivatives with tailored biological activities. For instance, the introduction of functional groups at the hydroxyl or amino site can significantly alter its pharmacological profile. These modifications have been explored in the context of 2-amino-1-butanol-based drugs targeting neurodegenerative diseases, cancer, and metabolic disorders. The 2-amino-1-butanol scaffold has also been utilized in the development of antiviral agents, with recent studies showing its potential in inhibiting viral replication mechanisms.

The synthesis of 2-amino-1-butanol is a critical aspect of its application in the pharmaceutical industry. Traditional methods often involve multi-step reactions, such as the reduction of nitriles or the hydrolysis of amides, to produce this compound. However, recent advancements in catalytic chemistry have enabled more efficient and sustainable synthesis routes. For example, a 2023 study published in *Organic & Biomolecular Chemistry* reported the use of chiral catalysts to selectively produce 2-amino-1-butanol with high enantiomeric purity. This innovation has enhanced the scalability of 2-amino-1-butanol production while reducing environmental impact, aligning with the growing demand for green chemistry practices in drug development.

2-Amino-1-butanol has emerged as a key player in the field of pharmaceutical applications due to its ability to interact with various biological targets. One of its most promising areas is its role in the modulation of neurotransmitter systems. Research published in *Journal of Medicinal Chemistry* (2024) demonstrated that 2-amino-1-butanol derivatives can act as agonists or antagonists of GABA receptors, offering potential therapeutic applications for neurological disorders such as epilepsy and anxiety. Additionally, the 2-amino-1-butanol molecule has been explored for its anti-inflammatory properties, with studies indicating its ability to inhibit pro-inflammatory cytokines in immune cells.

Recent advancements in biological activity research have further expanded the potential of 2-amino-1-butanol. A 2023 study in *Bioorganic & Medicinal Chemistry Letters* revealed that 2-amino-1-butanol derivatives exhibit antitumor activity by inducing apoptosis in cancer cells. The compound’s ability to disrupt mitochondrial function and trigger programmed cell death has made it a candidate for the development of novel anticancer agents. Moreover, its role in the regulation of metabolic pathways has attracted attention in the context of diabetes and obesity research. Scientists are now investigating how 2-amino-1-butanol can modulate lipid metabolism and insulin sensitivity, potentially offering new therapeutic strategies for metabolic diseases.

The 2-amino-1-butanol molecule is also being explored for its applications in chemical synthesis and material science. Its hydroxyl group can serve as a building block for the creation of polymers and coatings with specific functional properties. For instance, a 2024 study in *Advanced Materials* highlighted the use of 2-amino-1-butanol as a precursor for the synthesis of biodegradable polymers with controlled degradation rates. These materials have potential applications in drug delivery systems and tissue engineering, where the ability to release active compounds over time is critical. The 2-amino-1-butanol-based polymers have also shown promise in the development of smart hydrogels that respond to environmental stimuli such as pH or temperature.

Despite its growing importance, the 2-amino-1-butanol molecule still faces challenges in terms of its commercialization and regulatory approval. One of the key hurdles is the need to optimize its pharmacokinetic profile to ensure adequate bioavailability and minimal side effects. Researchers are actively working on modifying the 2-amino-1-butanol structure to enhance its solubility and stability in biological systems. Additionally, there is ongoing research to identify potential toxicological risks associated with its use, particularly in long-term therapeutic applications. These efforts are crucial to ensure the safe and effective utilization of 2-amino-1-butanol in clinical settings.

In conclusion, 2-amino-1-butanol (CAS No. 96-20-8) represents a valuable compound with diverse applications across multiple scientific disciplines. Its unique chemical properties and functional versatility have positioned it as a critical component in the development of new therapeutics and materials. As research continues to uncover its potential, the 2-amino-1-butanol molecule is expected to play an increasingly important role in advancing medical science and industrial innovation.

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Tiancheng Chemical (Jiangsu) Co., Ltd
(CAS:96-20-8)(±)-2-氨基-1-丁醇
LE27065783
Purity:99%
Quantity:25KG,200KG,1000KG
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