Cas no 79069-14-0 (Boc-L-Valinol)

Boc-L-Valinol structure
Boc-L-Valinol structure
Product Name:Boc-L-Valinol
CAS No:79069-14-0
MF:C10H21NO3
MW:203.278643369675
MDL:MFCD00082635
CID:60050
PubChem ID:7021464
Update Time:2024-10-27

Boc-L-Valinol Chemical and Physical Properties

Names and Identifiers

    • N-Boc-L-valinol
    • Boc-Val-ol~N-tert-Butoxycarbonyl-(S)-2-amino-3-methyl-1-butanol~N-(tert-Butoxycarbonyl)-L-valinol
    • NALPHA-tert-Butoxycarbonyl-L-valinol
    • (R)-2-BOC-3-METHYL-1-BUTANOL
    • Boc-L-Valinol
    • Boc-Valinol
    • H-Thr-OH
    • tert-Butyl (1S)-1-(hydroxymethyl)-2-methylpropylcarbamate
    • tert-butyl N-[(2S)-1-hydroxy-3-methylbutan-2-yl]carbamate
    • N-(tert-Butoxycarbonyl)-L-valinol
    • (S)-N-(tert-Butoxycarbonyl)valinol
    • Boc-Val-ol
    • N-tert-Butoxycarbonyl-L-valinol
    • N-t-BOC-L-Valinol
    • OOQRRYDVICNJGC-MRVPVSSYSA-N
    • (S)-tert-butyl 1-hydroxy-3-methylbutan-2-ylcarbamate
    • (R)-N-(tert-Butoxycarbonyl)valinol
    • BOC-D-VAL-OL
    • n-tboc-l-valinol
    • Boc-ValCH2OH
    • PubChem15745
    • (s)-(-)-boc-valinol
    • M-tert-Butoxycarbonyl-L-valinol
    • A
    • N-Boc-D-valinol
    • tert-Butyl 1-(hydroxymethyl)-2-methylpropylcarbamate #
    • tert-butyl (S)-(1-hydroxy-3-methylbutan-2-yl)carbamate
    • AKOS015907104
    • N-(tert-Butoxycarbonyl)-L-valinol, 96%
    • ((1S)-1-hydroxymethyl-2-methylpropyl)carbamic acid t-butyl ester
    • AC-24051
    • AS-14911
    • AKOS005259784
    • SCHEMBL1134642
    • (S)-2-(Boc-amino)-3-methyl-1-butanol
    • MFCD00082635
    • N-(tert.-butyloxycarbonyl)-L-valinol
    • 79069-14-0
    • 1-Butanol, (Ss)-2-[(tert.butyloxycarbonyl)amino]-3-methyl-
    • EN300-171458
    • DTXSID70427366
    • Q-101624
    • CS-W015451
    • 1,1-dimethylethyl N-[1-(S)-(hydroxymethyl)-2-methylpropyl]carbamate
    • (S)-tert-butyl (1-hydroxy-3-methylbutan-2-yl)carbamate
    • 2-Methyl-2-propanyl [(2S)-1-hydroxy-3-methyl-2-butanyl]carbamate
    • 1,1-Dimethylethyl N-[(1S)-1-(hydroxymethyl)-2-methylpropyl]carbamate (ACI)
    • Carbamic acid, [(1S)-1-(hydroxymethyl)-2-methylpropyl]-, 1,1-dimethylethyl ester (9CI)
    • Carbamic acid, [1-(hydroxymethyl)-2-methylpropyl]-, 1,1-dimethylethyl ester, (S)- (ZCI)
    • (1S)-N-(tert-Butoxycarbonyl)-1-isopropyl-2-hydroxyethylamine
    • (2S)-2-[(tert-Butyloxycarbonyl)amino]-3-methylbutan-1-ol
    • (S)-(-)-2-(tert-Butoxycarbonylamino)-3-methyl-1-butanol
    • N-Boc-(S)-valinol
    • N-tert-Butoxycarbonylo-(S)-valinol
    • tert-Butyl N-[(1S)-1-(hydroxymethyl)-2-methylpropyl]carbamate
    • tert-Butyloxycarbonyl-(S)-valinol
    • N-Boc-L-Valinol,98%
    • MDL： MFCD00082635
    • Inchi： 1S/C10H21NO3/c1-7(2)8(6-12)11-9(13)14-10(3,4)5/h7-8,12H,6H2,1-5H3,(H,11,13)/t8-/m1/s1
    • InChI Key： OOQRRYDVICNJGC-MRVPVSSYSA-N
    • SMILES： [C@@H](CO)(C(C)C)NC(=O)OC(C)(C)C
    • BRN： 4663728

Computed Properties

  • Exact Mass: 203.15200
  • Monoisotopic Mass: 203.15214353g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 5
  • Complexity: 184
  • 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: 1.6
  • Topological Polar Surface Area: 58.6

Experimental Properties

  • Color/Form: Colorless liquid
  • Density: 0.995?g/mL?at 25?°C(lit.)
  • Boiling Point: 208?°C(lit.)
  • Flash Point: Degrees Fahrenheit:185°F
    Degrees Celsius:85°C
  • Refractive Index: n20/D 1.449(lit.)
  • PSA: 58.56000
  • LogP: 1.91890
  • Specific Rotation: -23 o (c=1 in chloroform)
  • Optical Activity: [α]23/D ?23°, c =?1 in chloroform
  • Solubility: It is miscible with water.

Boc-L-Valinol Security Information

  • Symbol: GHS07
  • Signal Word：Warning
  • Hazard Statement： H315,H319,H335
  • Warning Statement： P261,P305+P351+P338
  • Hazardous Material transportation number：NA 1993 / PGIII
  • WGK Germany：3
  • Hazard Category Code： 36/37/38
  • Safety Instruction： S26-S36
  • Hazardous Material Identification： Xi
  • Safety Term：S26;S36
  • Risk Phrases：R36/37/38
  • Storage Condition：Store long-term at 2-8°C

Boc-L-Valinol 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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Boc-L-Valinol Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Triethylamine Solvents: Dichloromethane ;  0.5 h, rt
1.2 Solvents: Dichloromethane ;  0 °C; 0 °C → rt; overnight, rt
1.3 Reagents: Ammonium chloride Solvents: Water ;  rt
Reference
Synthesis of Chiral Aminophosphines from Chiral Aminoalcohols via Cyclic Sulfamidates
Guo, Rongwei; Lu, Shuiming; Chen, Xuanhua; Tsang, Chi-Wing; Jia, Wenli; et al, Journal of Organic Chemistry, 2010, 75(3), 937-940

Production Method 2

Reaction Conditions
1.1 Solvents: Dichloromethane
Reference
Computer-assisted discovery of novel amino acid derived sulfides for enantioselective epoxidation of aldehydes
Myllymaki, V. T.; Lindvall, M. K.; Koskinen, A. M. P., Tetrahedron, 2001, 57(21), 4629-4635

Production Method 3

Reaction Conditions
1.1 Reagents: Triethylamine Solvents: Dichloromethane
Reference
A new class of C2-symmetric diphosphine ligands derived from valine: remarkably diverse behavior in catalytic asymmetric transformations
Saitoh, Akihito; Uda, Takashi; Morimoto, Toshiaki, Tetrahedron: Asymmetry, 1999, 10(23), 4501-4511

Production Method 4

Reaction Conditions
1.1 Solvents: Acetonitrile ;  3 h, rt
Reference
Synthesis and application of chiral β-amino disulfides as ligands for the enantioselective addition of diethylzinc to aldehydes
Braga, Antonio L.; Galetto, Fabio Z.; Rodrigues, Oscar E. D.; Silveira, Claudio C.; Paixao, Marcio W., Chirality, 2008, 20(7), 839-845

Production Method 5

Reaction Conditions
1.1 Reagents: Triethylamine Solvents: Dichloromethane ;  rt
Reference
Versatile Chiral Bidentate Ligands Derived from α-Amino Acids: Synthetic Applications and Mechanistic Considerations in the Palladium-Mediated Asymmetric Allylic Substitutions
Saitoh, Akihito; Achiwa, Kazuo; Tanaka, Kiyoshi; Morimoto, Toshiaki, Journal of Organic Chemistry, 2000, 65(14), 4227-4240

Production Method 6

Reaction Conditions
1.1 Reagents: Triethylamine Solvents: Dichloromethane ;  rt
Reference
Discovery of a novel chemotype of potent human ENaC blockers using a bioisostere approach. Part 2: α-Branched quaternary amines
Hunt, Thomas; Atherton-Watson, Hazel C.; Collingwood, Stephen P.; Coote, Kevin J.; Czarnecki, Sarah; et al, Bioorganic & Medicinal Chemistry Letters, 2012, 22(8), 2877-2879

Boc-L-Valinol Raw materials

Boc-L-Valinol Preparation Products

Boc-L-Valinol Suppliers

Tiancheng Chemical (Jiangsu) Co., Ltd
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Audited Supplier Audited Supplier
(CAS:79069-14-0)N-Boc-L-纈氨醇
Order Number:LE26562345
Stock Status:in Stock
Quantity:25KG,200KG,1000KG
Purity:99%
Pricing Information Last Updated:Friday, 20 June 2025 12:56
Price ($):discuss personally

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Tiancheng Chemical (Jiangsu) Co., Ltd
(CAS:79069-14-0)N-Boc-L-纈氨醇
LE26562345
Purity:99%
Quantity:25KG,200KG,1000KG
Price ($):Inquiry
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