(S)-Benzyl (1-cyano-2-methylpropyl)carbamate

Base Information

Chemical Name:(S)-Benzyl (1-cyano-2-methylpropyl)carbamate
CAS No.:17343-55-4
Molecular Formula:C13H16 N2 O2
Molecular Weight:232.282
Hs Code.:2926909090
DSSTox Substance ID:DTXSID50560826
Nikkaji Number:J1.413.703C
Wikidata:Q72516541
Mol file:17343-55-4.mol

Synonyms:17343-55-4;(S)-Benzyl (1-cyano-2-methylpropyl)carbamate;BENZYL N-[(1S)-1-CYANO-2-METHYLPROPYL]CARBAMATE;Carbamic acid, [(1S)-1-cyano-2-methylpropyl]-, phenylmethyl ester;(S)-N-Cbz-Valinenitrile;(S)-Benzyl(1-cyano-2-methylpropyl)carbamate;Benzyl [(1S)-1-cyano-2-methylpropyl]carbamate;SCHEMBL6311222;DTXSID50560826;AKOS005146168;AKOS015840710;AC-7667;A3835;EN300-12588200

Suppliers and Price of (S)-Benzyl (1-cyano-2-methylpropyl)carbamate

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Crysdot
(S)-Benzyl(1-cyano-2-methylpropyl)carbamate 95+%
1g
$ 614.00

American Custom Chemicals Corporation
(S)-N-CBZ-VALINENITRILE 95.00%
1G
$ 1274.70

American Custom Chemicals Corporation
(S)-N-CBZ-VALINENITRILE 95.00%
5MG
$ 497.60

Alichem
(S)-Benzyl(1-cyano-2-methylpropyl)carbamate
1g
$ 550.00

Total 12 raw suppliers

Chemical Property of (S)-Benzyl (1-cyano-2-methylpropyl)carbamate

Chemical Property:

Melting Point:53 ºC
PSA：62.12000
Density:1.099
LogP:2.85188
Storage Temp.:2-8°C
XLogP3:2.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:232.121177757
Heavy Atom Count:17
Complexity:287

Purity/Quality:

97% ^*data from raw suppliers

(S)-Benzyl(1-cyano-2-methylpropyl)carbamate 95+% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)C(C#N)NC(=O)OCC1=CC=CC=C1
Isomeric SMILES:CC(C)[C@@H](C#N)NC(=O)OCC1=CC=CC=C1

Technology Process of (S)-Benzyl (1-cyano-2-methylpropyl)carbamate

There total 9 articles about (S)-Benzyl (1-cyano-2-methylpropyl)carbamate 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: 100.0%

: 13139-28-1
(S)-N-benzyloxycarbonylvalinamide

: 17343-55-4
(S)-N-benzyloxycarbonyl-2-amino-isopentanenitrile

Guidance literature:: With pyridine; trichlorophosphate; at -15 ℃; for 1.5h;
DOI:10.1021/jm980617f

Reference yield: 89.0%

: 17343-55-4
(S)-N-benzyloxycarbonyl-2-amino-isopentanenitrile

Guidance literature:: With trichlorophosphate; In N,N-dimethyl-formamide; at 0 ℃; for 3h;

Reference yield:

: 1149-26-4
(S)-N-(benzyloxycarbonyl)valine

: 17343-55-4
(S)-N-benzyloxycarbonyl-2-amino-isopentanenitrile

Guidance literature:: Multi-step reaction with 2 steps

1: NH₄HCO₃; Boc₂O; pyridine / acetonitrile / 20 °C

2: POCl₃; pyridine / CH₂Cl₂ / 3 h / -10 °C

With pyridine; di-tert-butyl dicarbonate; ammonium bicarbonate; trichlorophosphate; In dichloromethane; acetonitrile;
DOI:10.1002/chem.200501639