(R)-tert-butyl 1-cyanoethylcarbamate

Base Information

Chemical Name:(R)-tert-butyl 1-cyanoethylcarbamate
CAS No.:100927-09-1
Molecular Formula:C₈H₁₄N₂O₂
Molecular Weight:170.211
Hs Code.:
DSSTox Substance ID:DTXSID10420477
Nikkaji Number:J2.421.231I
Wikidata:Q72458130
Mol file:100927-09-1.mol

Synonyms:100927-09-1;(R)-tert-butyl 1-cyanoethylcarbamate;tert-butyl N-[(1R)-1-cyanoethyl]carbamate;Carbamic acid, [(1R)-1-cyanoethyl]-, 1,1-dimethylethyl ester (9CI);TERT-BUTYL (R)-(1-CYANOETHYL)CARBAMATE;(R)-2-(Boc-amino)propanenitrile;MFCD18633363;SCHEMBL2563210;DTXSID10420477;tert-Butyl 1-cyanoethylcarbamate #;t-Butyl (R)-(1-cyanoethyl)carbamate;(R)-2-(tert-Butoxycarbonylamino)propanenitrile;A26817;EN300-3014037;Carbamic acid, (1-cyanoethyl)-, 1,1-dimethylethyl ester, (R)-

Suppliers and Price of (R)-tert-butyl 1-cyanoethylcarbamate

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

AK Scientific
(R)-Tert-butyl1-cyanoethylcarbamate
1g
$ 802.00

Total 11 raw suppliers

Chemical Property of (R)-tert-butyl 1-cyanoethylcarbamate

Chemical Property:

Boiling Point:277℃
PKA:10.14±0.46(Predicted)
Flash Point:121℃
PSA：62.12000
Density:1.021
LogP:1.81408
XLogP3:1.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:170.105527694
Heavy Atom Count:12
Complexity:209

Purity/Quality:

97% ^*data from raw suppliers

(R)-Tert-butyl1-cyanoethylcarbamate ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of (R)-tert-butyl 1-cyanoethylcarbamate

There total 5 articles about (R)-tert-butyl 1-cyanoethylcarbamate 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: 86.0%

: 100927-09-1
(R)-tert-butyl (1-cyanoethyl)carbamate

Guidance literature:

Reference yield: 85.0%

: 78981-25-6
N-(tert-butoxycarbonyl)-D-alanine amide

: 100927-09-1
(R)-tert-butyl (1-cyanoethyl)carbamate

Guidance literature:: With pyridine; trifluoroacetic anhydride; In tetrahydrofuran; at 0 - 20 ℃; for 2h; Inert atmosphere;
DOI:10.1016/j.tetasy.2013.11.001

Reference yield:

: 3744-87-4,7764-95-6,15761-38-3
Boc-(R)-Ala

: 100927-09-1
(R)-tert-butyl (1-cyanoethyl)carbamate

Guidance literature:: Multi-step reaction with 2 steps

1: ethyl chloroformate; triethylamine; ammonia(g) / CH₂Cl₂ / -10 °C

2: cyanuric chloride / dimethylformamide / 0.5 h / 20 °C

With 1,3,5-trichloro-2,4,6-triazine; ammonia; chloroformic acid ethyl ester; triethylamine; In dichloromethane; N,N-dimethyl-formamide;
DOI:10.1016/j.tetlet.2006.12.077