Cas no 96-81-1 (N-Acetyl-L-valine)

N-Acetyl-L-valine is a modified amino acid derivative where the acetyl group is attached to the L-valine backbone. This compound is primarily utilized in peptide synthesis and biochemical research due to its enhanced stability and solubility compared to free valine. The acetylation protects the amino group, making it less reactive and suitable for specific coupling reactions in solid-phase peptide synthesis. It also serves as a precursor in the study of metabolic pathways and enzyme mechanisms. Its high purity and consistent quality ensure reliable performance in experimental applications, particularly in pharmaceutical and proteomics research. The compound is typically supplied as a white crystalline powder.
N-Acetyl-L-valine structure
N-Acetyl-L-valine structure
Product Name:N-Acetyl-L-valine
CAS No:96-81-1
MF:C7H13NO3
MW:159.183022260666
MDL:MFCD00066066
CID:34878
PubChem ID:66789
Update Time:2025-10-29

N-Acetyl-L-valine Chemical and Physical Properties

Names and Identifiers

    • N-Acetyl-L-valine
    • N-acetylvaline
    • Ac-Val-OH
    • Ac-L-Val-OH
    • (2S)-2-acetamido-3-methylbutanoic acid
    • N-α-Acetyl-L-valine
    • N-Acyl-Valine
    • N-Acetyl-L-valine (ACI)
    • L
    • Valine, N-acetyl-, L- (6CI, 8CI)
    • (S)-2-Acetamido-3-methylbutanoic acid
    • L-N-Acetylvaline
    • Acetylvaline
    • W-100131
    • NSC 122016
    • N-alpha-Actetyl-L-valine (Ac-L-Val-OH)
    • J-300293
    • U83P7H9HV3
    • SCHEMBL132349
    • GS-3342
    • EN300-297451
    • S-(-)-N-ACETYLVALINE
    • O10207
    • L-Valine, N-acetyl-
    • CHEBI:21565
    • HMS1719J05
    • AM82366
    • CS-W016182
    • Valine, N-acetyl-, L-
    • DTXSID40914697
    • (S)-2-acetylamino-3-methylbutyric acid
    • HY-W015466
    • NCGC00323030-01
    • N-Acetyl Valine
    • TS-03593
    • AC-VAL
    • 96-81-1
    • EINECS 221-321-4
    • UNII-U83P7H9HV3
    • Z57032483
    • AKOS001078320
    • AB01318387-02
    • Q27290813
    • MFCD00066066
    • AKOS015837737
    • n-acetyl-Valine
    • A-1897
    • Acetyl-L-Valine
    • EINECS 202-537-8
    • Valine, N-acetyl-
    • NS00081955
    • MDL: MFCD00066066
    • Inchi: 1S/C7H13NO3/c1-4(2)6(7(10)11)8-5(3)9/h4,6H,1-3H3,(H,8,9)(H,10,11)/t6-/m0/s1
    • InChI Key: IHYJTAOFMMMOPX-LURJTMIESA-N
    • SMILES: OC([C@H](C(C)C)NC(C)=O)=O

Computed Properties

  • Exact Mass: 159.09000
  • Monoisotopic Mass: 159.09
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 4
  • Complexity: 165
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: 2
  • XLogP3: nothing
  • Topological Polar Surface Area: 66.4A^2

Experimental Properties

  • Color/Form: White crystals
  • Density: 1.0940
  • Melting Point: 163.0 to 167.0 deg-C
  • Boiling Point: 362.2 °C at 760 mmHg
  • Flash Point: 172.8℃
  • PSA: 66.40000
  • LogP: 0.62260
  • Specific Rotation: +11.0 to +14.0°(C=1, AcOH)
  • Solubility: Not determined

N-Acetyl-L-valine Security Information

N-Acetyl-L-valine Customs Data

  • HS CODE:2924199090
  • Customs Data:

    China Customs Code:

    2924199090

    Overview:

    2924199090. Other acyclic amides(Including acyclic carbamates)(Including its derivatives and salts). VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to, packing

    Summary:

    2924199090. other acyclic amides (including acyclic carbamates) and their derivatives; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

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N-Acetyl-L-valine Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Sodium bicarbonate Solvents: Acetone ,  Water ;  12 h, rt
1.2 Reagents: Hydrochloric acid Solvents: Water ;  pH 3, rt
Reference
Pyrrolobenzodiazepine antibody conjugates
, World Intellectual Property Organization, , ,

Production Method 2

Reaction Conditions
1.1 Solvents: Acetic acid ;  rt → 70 °C; 1 h, 70 °C; 5 h, 70 °C; 1 h, 70 °C; 0.08 MPa, 60 °C
1.2 Reagents: Water ;  12 h, cooled
Reference
Method for preparing n-acetylamino acid from amino acid, acetic anhydride, and acetic acid
, China, , ,

Production Method 3

Reaction Conditions
1.1 Catalysts: Sulfuric acid Solvents: Acetic anhydride ;  24 h, rt
Reference
Synthesis of Planar Chiral Phosphapalladacycles by N-Acyl Amino Acid Mediated Enantioselective Palladation
Gunay, M. Emin; Richards, Christopher J., Organometallics, 2009, 28(19), 5833-5836

Production Method 4

Reaction Conditions
1.1 Reagents: Sodium hydroxide Solvents: Water
Reference
Stereoselective synthesis of cyclobutanols by Yang photocyclization. Influence of hydrogen bridges on the efficiency and selectivity
Cygon, Peter, 2004, , ,

Production Method 5

Reaction Conditions
1.1 Solvents: Methanol ;  6 h, 70 °C
Reference
Combinatorial ligand design for transition metal catalysts featuring one coordinating and one non-coordinating building block wherein building blocks contain complementary functionalities to promote non-covalent bonding
, European Patent Organization, , ,

Production Method 6

Reaction Conditions
1.1 Reagents: Sodium hydroxide Solvents: Water ;  0 °C; rt
1.2 Reagents: Hydrochloric acid Solvents: Water ;  pH 2 - 3, rt
Reference
Bio- and medicinally compatible α-amino acid modification via merging photo-redox and N-heterocyclic carbene catalysis
Feng, Jie; Zhang, Kuili; Ma, Rui; Gao, Jian; Lu, Tao; et al, ChemRxiv, 2020, , 1-7

Production Method 7

Reaction Conditions
1.1 Reagents: Hydrogen Catalysts: Palladium Solvents: Ethanol ;  16 h, rt
Reference
Preparation of hexahydro(di)azepino[3,2,1-hi]indole-, tetrahydro-7H-6-oxa-9a-azabenzo[cd]azulene- and tetrahydro-7H-6-thia-9a-azabenzo[cd]azulene-containing peptides as granzyme B directed imaging and therapy
, World Intellectual Property Organization, , ,

Production Method 8

Reaction Conditions
Reference
Preparation of N-acylamino acids from aldehydes, carboxamides, and carbon monoxide
, Federal Republic of Germany, , ,

Production Method 9

Reaction Conditions
Reference
Method for resolving enantiomers from racemic mixture having chiral carbon in alpha position of nitrogen
, World Intellectual Property Organization, , ,

Production Method 10

Reaction Conditions
1.1 Solvents: Water
Reference
Insight into β-hairpin stability: a structural and thermodynamic study of diastereomeric β-hairpin mimetics
Erdelyi, Mate; Langer, Vratislav; Karlen, Anders; Gogoll, Adolf, New Journal of Chemistry, 2002, 26(7), 834-843

Production Method 11

Reaction Conditions
1.1 Catalysts: Triphenylphosphine ,  Lithium bromide ,  Sulfuric acid ,  Di-μ-chlorobis[(1,2,5,6-η)-1,5-cyclooctadiene]diiridium Solvents: N-Methyl-2-pyrrolidone
1.2 -
Reference
Amidocarbonylation procedure and catalysts for the production of N-acylamino acids from the reaction of carbon monoxide with aldehydes and amides or nitriles
, Germany, , ,

Production Method 12

Reaction Conditions
1.1 1 h, 150 °C
Reference
N-acylation of amino acids and amines
, World Intellectual Property Organization, , ,

Production Method 13

Reaction Conditions
1.1 Reagents: Sodium hydroxide Solvents: Water ;  15 min, rt; 1 h, rt
Reference
A facile synthesis and IR-LD spectral elucidation of N-acetyl amino acid derivatives
Chapkanov, A. G.; Dzimbova, T. A.; Ivanova, B. B., Bulgarian Chemical Communications, 2012, 44(3), 228-232

Production Method 14

Reaction Conditions
1.1 Solvents: Methanol ;  6 h, 70 °C
Reference
"Cofactor"-Controlled Enantioselective Catalysis
Dydio, Pawel; Rubay, Christophe; Gadzikwa, Tendai; Lutz, Martin; Reek, Joost N. H., Journal of the American Chemical Society, 2011, 133(43), 17176-17179

Production Method 15

Reaction Conditions
1.1 Reagents: Sodium hydroxide Solvents: Water ;  0 °C; rt
1.2 Reagents: Hydrochloric acid Solvents: Water ;  pH 2 - 3, rt
Reference
Bio- and medicinally compatible α-amino-acid modification via merging photoredox and N-heterocyclic carbene catalysis
Du, Ding ; Zhang, Kuili; Ma, Rui; Chen, Lei; Gao, Jian ; et al, Organic Letters, 2020, 22(16), 6370-6375

Production Method 16

Reaction Conditions
1.1 Solvents: Water ;  4 min, rt
Reference
Antibodies conjugated with antitumor agent through novel peptidomimetic linkers for cancer prevention and therapy
, World Intellectual Property Organization, , ,

Production Method 17

Reaction Conditions
Reference
Palladium-Catalyzed [3 + 2] Annulation of Aromatic Amides with Maleimides through Dual C-H Activation
Naskar, Gouranga; Jeganmohan, Masilamani, Organic Letters, 2023, 25(13), 2190-2195

Production Method 18

Reaction Conditions
Reference
Ligand-Enabled [3+2] Annulation of Aromatic Acids with Maleimides by C(sp3)-H and C(sp2)-H Bond Activation
Naskar, Gouranga; Jeganmohan, Masilamani, Chemistry - A European Journal, 2022, 28(39),

Production Method 19

Reaction Conditions
Reference
Separation and indirect detection of amino acids as acetylated derivatives
Yuan, Dongxing; Pietrzyk, Donald J., Journal of Chromatography, 1991, 557(1-2), 315-24

Production Method 20

Reaction Conditions
Reference
Resolution of 3-aminoalkylnitriles
, World Intellectual Property Organization, , ,

N-Acetyl-L-valine Raw materials

N-Acetyl-L-valine Preparation Products

N-Acetyl-L-valine Suppliers

Suzhou Senfeida Chemical Co., Ltd
Gold Member
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(CAS:96-81-1)N-Acetyl-L-valine
Order Number:sfd12727
Stock Status:in Stock
Quantity:200kg
Purity:99.9%
Pricing Information Last Updated:Friday, 19 July 2024 14:36
Price ($):discuss personally
Recommended suppliers
Suzhou Senfeida Chemical Co., Ltd
(CAS:96-81-1)N-Acetyl-L-valine
sfd12727
Purity:99.9%
Quantity:200kg
Price ($):Inquiry
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