N-Cyanoacetylurethane

Base Information

Chemical Name:N-Cyanoacetylurethane
CAS No.:6629-04-5
Molecular Formula:C6H8 N2 O3
Molecular Weight:156.141
Hs Code.:2926909090
European Community (EC) Number:229-615-4
NSC Number:59709
UNII:7L18CT33BN
DSSTox Substance ID:DTXSID50216497
Nikkaji Number:J35.097D
Wikidata:Q27268488
Mol file:6629-04-5.mol

Synonyms:N-Cyanoacetylurethane;6629-04-5;Ethyl (2-cyanoacetyl)carbamate;ethyl N-(2-cyanoacetyl)carbamate;Ethyl cyanoacetylcarbamate;Cyanoacetylurethan;Ethyl cyanacetylcarbamate;Carbamic acid, (cyanoacetyl)-, ethyl ester;N-Cyanoacetylethylcarbamate;N-Cyanoacetyl ethyl carbamate;N-Cyano Acetyl Urethane;7L18CT33BN;CARBAMIC ACID, CYANOACETYL-, ETHYL ESTER;EINECS 229-615-4;MFCD00001937;NSC 59709;NSC-59709;BRN 1210605;N-Cyanourethane;Cyanacetylurethan;cyanoacetylurethane;D-beta-Homoleucine;2-Cyanoacetylurethane;WLN: NC1VMVO2;UNII-7L18CT33BN;N-Cyanoacetylurethane, 98%;N-ethoxycarbonylcyanoacetamide;ethyl(2-cyanoacetyl)carbamate;SCHEMBL700167;AMY861;ethyl (2-cyanoacetamido)formate;DTXSID50216497;NSC59709;CCG-51498;GEO-00827;AKOS005069392;CS-W001933;SB76459;2-Cyanoacetylcarbamic acid, ethyl ester;LS-49182;SY011007;(2-Cyano-acetyl)-carbamic acid ethyl ester;FT-0679997;EN300-95848;11E-923;4-03-00-00049 (Beilstein Handbook Reference);A852609;J-520467;J-640344;J-800347;SR-01000640793-1;Q27268488

Suppliers and Price of N-Cyanoacetylurethane

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
N-Cyanoacetylurethane
50g
$ 575.00

TRC
N-Cyanoacetylurethane
25g
$ 295.00

Sigma-Aldrich
N-Cyanoacetylurethane 98%
100g
$ 947.00

Sigma-Aldrich
N-Cyanoacetylurethane 98%
25g
$ 315.00

Oakwood
N-Cyanoacetylurethane 98%
1g
$ 33.00

Medical Isotopes, Inc.
N-Cyanoacetylurethane
25 g
$ 875.00

Matrix Scientific
Ethyl N-(2-cyanoacetyl)carbamate >95%
1g
$ 32.00

Matrix Scientific
Ethyl N-(2-cyanoacetyl)carbamate >95%
500mg
$ 21.00

Matrix Scientific
Ethyl N-(2-cyanoacetyl)carbamate >95%
5g
$ 92.00

Crysdot
Ethyl(2-cyanoacetyl)carbamate 97%
100g
$ 652.00

Total 52 raw suppliers

Chemical Property of N-Cyanoacetylurethane

Chemical Property:

Melting Point:167-169 °C(lit.)
Refractive Index:1.5010 (estimate)
Boiling Point:280.35°C (rough estimate)
PKA:3.46±0.10(Predicted)
PSA：79.19000
Density:1.197
LogP:0.56368
Storage Temp.:2-8°C
Solubility.:DMSO, Methanol
XLogP3:0
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:156.05349212
Heavy Atom Count:11
Complexity:203

Purity/Quality:

99% ^*data from raw suppliers

N-Cyanoacetylurethane ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xn
Hazard Codes:Xn
Statements: 20/21/22-36/37/38
Safety Statements: 26-37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Canonical SMILES:CCOC(=O)NC(=O)CC#N
Uses N-Cyanoacetylurethane is used in the synthesis of inhibitors targetting the PDZ domain of PICK1, which is a potential target for brain ischemia, pain and addiction illnesses. Also it is used in the sy nthesis of cathespin K inhibitors. N-Cyanoacetylurethane is used in the synthesis of inhibitors targetting the PDZ domain of PICK1, which is a potential target for brain ischemia, pain and addiction illnesses. Also it is used in the synthesis of cathespin K inhibitors.

Technology Process of N-Cyanoacetylurethane

There total 2 articles about N-Cyanoacetylurethane 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: 95.0%

: 372-09-8
cyanoacetic acid

: 51-79-6
urethane

: 6629-04-5
ethyl N-cyanoacetylcarbamate

Guidance literature:: With trichlorophosphate; In N,N-dimethyl-formamide; toluene; at 0 - 70 ℃; for 1.5h; Inert atmosphere;

Reference yield: 63.2%

: 6629-04-5
ethyl N-cyanoacetylcarbamate

Guidance literature:: With trichlorophosphate; In N,N-dimethyl-formamide; toluene; at 0 - 80 ℃; for 3h; Inert atmosphere;

Reference yield: 100.0%

: 6629-04-5
ethyl N-cyanoacetylcarbamate

: 99-09-2
3-nitro-aniline

: 52348-80-8
Ethyl (Z)-2-cyano-2-(2-(3-nitrophenyl)hydrazono)acetylcarbamate

Guidance literature:: 3-nitro-aniline; With hydrogenchloride; sodium nitrite; In water; at 0 ℃; for 0.5h;

ethyl N-cyanoacetylcarbamate; With sodium acetate; In ethanol; water; at 0 ℃; for 2h;