tert-Butyl (2-cyanophenyl)carbamate

Base Information

Chemical Name:tert-Butyl (2-cyanophenyl)carbamate
CAS No.:163229-43-4
Molecular Formula:C₁₂H₁₄N₂O₂
Molecular Weight:218.255
Hs Code.:2926909090
European Community (EC) Number:803-329-5
DSSTox Substance ID:DTXSID60473791
Nikkaji Number:J1.785.434H
Wikidata:Q82303420
Mol file:163229-43-4.mol

Synonyms:tert-Butyl (2-cyanophenyl)carbamate;163229-43-4;Tert-butyl N-(2-cyanophenyl)carbamate;Carbamic acid, (2-cyanophenyl)-, 1,1-dimethylethyl ester;SCHEMBL4774446;DTXSID60473791;t-Butyl (2-cyanophenyl)carbamate;N-Boc-2-aminobenzonitrile, 97%;tert-Butyl(2-cyanophenyl)carbamate;CARBAMIC ACID,(2-CYANOPHENYL)-,1,1-DIMETHYLETHYL ESTER;t-butyl N-(2-cyanophenyl)carbamate;MFCD07776951;AKOS000193081;DS-8096;CS-0205494;FT-0730604;EN300-747193;O12088;Carbamic acid, N-(2-cyanophenyl)-, 1,1-dimethylethyl ester

Suppliers and Price of tert-Butyl (2-cyanophenyl)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

TRC
tert-Butyl(2-Cyanophenyl)carbamate
500mg
$ 90.00

Sigma-Aldrich
N-Boc-2-aminobenzonitrile 97%
1g
$ 62.30

Crysdot
tert-Butyl(2-cyanophenyl)carbamate 95+%
25g
$ 419.00

American Custom Chemicals Corporation
TERT-BUTYL-2-CYANOPHENYLCARBAMATE 95.00%
10G
$ 1767.15

American Custom Chemicals Corporation
TERT-BUTYL-2-CYANOPHENYLCARBAMATE 95.00%
5G
$ 1166.55

American Custom Chemicals Corporation
TERT-BUTYL-2-CYANOPHENYLCARBAMATE 95.00%
1G
$ 681.45

Alichem
tert-Butyl(2-cyanophenyl)carbamate
25g
$ 445.50

Alichem
tert-Butyl(2-cyanophenyl)carbamate
10g
$ 260.00

Alichem
tert-Butyl(2-cyanophenyl)carbamate
5g
$ 150.00

Total 6 raw suppliers

Chemical Property of tert-Butyl (2-cyanophenyl)carbamate

Chemical Property:

Melting Point:74-77°C
Boiling Point:165 °C(Press: 2 Torr)
PKA:12.77±0.70(Predicted)
PSA：62.12000
Density:1.12±0.1 g/cm3(Predicted)
LogP:2.97828
XLogP3:2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:218.105527694
Heavy Atom Count:16
Complexity:298

Purity/Quality:

98%min ^*data from raw suppliers

tert-Butyl(2-Cyanophenyl)carbamate ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xi,N
Hazard Codes:Xi,N
Statements: 36-38-51/53
Safety Statements: 26-61

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)(C)OC(=O)NC1=CC=CC=C1C#N

Technology Process of tert-Butyl (2-cyanophenyl)carbamate

There total 9 articles about tert-Butyl (2-cyanophenyl)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: 85.0%

: 24424-99-5
di-tert-butyl dicarbonate

: 1885-29-6
anthranilic acid nitrile

: 163229-43-4
N-(t-butoxycarbonyl)-2-aminobenzonitrile

Guidance literature:: With dmap; triethylamine; In dichloromethane; at 20 ℃; for 4h;

Reference yield: 81.0%

: 3422-01-3
tert-butyl phenylcarbamate

: 7321-55-3
2,2-dimethylmalononitrile

: 163229-43-4
N-(t-butoxycarbonyl)-2-aminobenzonitrile

Guidance literature:: tert-butyl phenylcarbamate; With tert.-butyl lithium; In tetrahydrofuran; pentane; at -78 - -20 ℃; for 2h;

2,2-dimethylmalononitrile; In tetrahydrofuran; pentane; at -20 - 23 ℃;
DOI:10.1021/jacs.5b06136

Reference yield: 68.0%

: 3422-01-3
tert-butyl phenylcarbamate

: 1122-85-6
phenyl cyanate

: 163229-43-4
N-(t-butoxycarbonyl)-2-aminobenzonitrile

Guidance literature:: tert-butyl phenylcarbamate; With tert.-butyl lithium; In diethyl ether; at -10 ℃; for 3h;

phenyl cyanate; In diethyl ether; at -70 ℃; for 0.5h;

In diethyl ether; at -70 ℃; for 2h;
DOI:10.1016/S0040-4039(02)01382-5