(S)-N-BOC-2-AMINO-4-METHYLPENTYL CYANIDE

Base Information

• Chemical Name: (S)-N-BOC-2-AMINO-4-METHYLPENTYL CYANIDE
• CAS No.: 172695-24-8
• Molecular Formula: C₁₂H₂₂N₂O₂
• Molecular Weight: 226.319
• Mol file: 172695-24-8.mol

Synonyms:Carbamicacid, [(1S)-1-(cyanomethyl)-3-methylbutyl]-, 1,1-dimethylethyl ester (9CI);Carbamic acid, [1-(cyanomethyl)-3-methylbutyl]-, 1,1-dimethylethyl ester, (S)-

Chemical Property of (S)-N-BOC-2-AMINO-4-METHYLPENTYL CYANIDE

Chemical Property:

• Vapor Pressure: 5.07E-05mmHg at 25°C
• Melting Point: 75-77 °C
• Boiling Point: 348.3°C at 760 mmHg
• Flash Point: 164.5°C
• PSA: 62.12000
• Density: 0.97g/cm³
• LogP: 3.23038

Purity/Quality:

HPLC>98% ^*data from raw suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 20/21/22
• Safety Statements: 36/37

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of (S)-N-BOC-2-AMINO-4-METHYLPENTYL CYANIDE

There total 13 articles about (S)-N-BOC-2-AMINO-4-METHYLPENTYL CYANIDE which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 82.0%

tetraethylammoniumcyanide (13435-20-6) + (2S)-2-[N-(tert-butoxycarbonyl)amino]-1-iodo-4-methylpentane (161529-19-7) → (S)-3-<(tert-butoxycarbonyl)amino>-5-methylhexanenitrile (172695-24-8)

Guidance literature:

In dichloromethane; for 4h; Heating;

DOI:10.1016/0040-4020(95)00778-7

Reference yield:

1H-imidazole (288-32-4) + tert-butyldimethylsilyl chloride (18162-48-6) + (3S)-3-(N-t-butoxycarbonylamino)-2-hydroxy-5-methylhexanenitrile (318464-18-5) → (S)-3-<(tert-butoxycarbonyl)amino>-5-methylhexanenitrile (172695-24-8)

Guidance literature:

With sodium chloride; In water; N,N-dimethyl-formamide;

Reference yield:

(S)-(1-hydroxymethyl-3-methylbutyl)carbamic acid tert-butyl ester (82010-31-9) → (S)-3-<(tert-butoxycarbonyl)amino>-5-methylhexanenitrile (172695-24-8)

Guidance literature:

Multi-step reaction with 2 steps

1: Et₃N, DMAP / CH₂Cl₂ / Ambient temperature

2: dimethylformamide / 24 h / Ambient temperature

With dmap; triethylamine; In dichloromethane; N,N-dimethyl-formamide;

DOI:10.1021/jo980821a

upstream raw materials:

sodium cyanide

(S)-(-)-1,1-dimethylethyl <3-methyl-1-<<(methylsulfonyl)oxy>methyl>butyl>carbamate

tetraethylammoniumcyanide

(2S)-2-[N-(tert-butoxycarbonyl)amino]-1-iodo-4-methylpentane

Downstream raw materials:

(S)-3-amino-5-methylhexanoic acid

N-Benzyloxycarbonyl-L-Homoleucine

methyl (S)-4-<(benzyloxycarbonyl)amino>-6-methyl-2-oxoheptanoate

methyl (3S)-3-amino-5-methylhexanoate