Methyl 2-isocyanatoacetate

Base Information

Chemical Name:Methyl 2-isocyanatoacetate
CAS No.:30988-17-1
Molecular Formula:C4H5NO3
Molecular Weight:115.089
Hs Code.:2929109000
European Community (EC) Number:807-174-4
DSSTox Substance ID:DTXSID80377742
Nikkaji Number:J988.602H
Mol file:30988-17-1.mol

Synonyms:Methyl 2-isocyanatoacetate;30988-17-1;methyl isocyanatoacetate;N-Carbonylglycine Methyl Ester;Acetic acid, 2-isocyanato-, methyl ester;methoxycarbonylmethyl isocyanate;Methylisocyanatoacetate;ISOCYANATO-ACETIC ACID METHYL ESTER;carbomethoxymethylisocyanate;SCHEMBL485846;DTXSID80377742;Isocyanatoacetic acid methyl ester;ZGONRPXUNVTWTA-UHFFFAOYSA-N;methyl N-(oxomethylidene)glycinate;MFCD00278825;AKOS010078191;EN300-272494;A902134;F2163-0159

Suppliers and Price of Methyl 2-isocyanatoacetate

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

Usbiological
N-Carbonylglycine Methyl Ester
1g
$ 460.00

TRC
N-CarbonylglycineMethylEster
10g
$ 1320.00

Total 5 raw suppliers

Chemical Property of Methyl 2-isocyanatoacetate

Chemical Property:

Boiling Point:73 °C(Press: 19 Torr)
PSA：55.73000
Density:1.13±0.1 g/cm3(Predicted)
LogP:-0.50480
XLogP3:1.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:115.026943022
Heavy Atom Count:8
Complexity:125

Purity/Quality:

97% ^*data from raw suppliers

N-Carbonylglycine Methyl Ester ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC(=O)CN=C=O
Uses Methyl 2-isocyanatoacetate is used in the synthesis of caplain inhibitors which are urea based. Also used in the preparation of CCK-B/gastrin receptor antagonists. N-Carbonylglycine Methyl Ester is used in the synthesis of caplain inhibitors which are urea based. Also used in the preparation of CCK-B/gastrin receptor antagonists.

Technology Process of Methyl 2-isocyanatoacetate

There total 1 articles about Methyl 2-isocyanatoacetate 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:

: 31954-27-5
N-(tert-butoxycarbonyl)glycine methyl ester

: 30988-17-1
methyl 2-isocyanatoacetate

Guidance literature:: With 2-chloropyridine; trifluoromethylsulfonic anhydride; In dichloromethane; at 20 ℃; for 0.833333h;
DOI:10.1021/jo500492x

Reference yield: 93.0%

: 276236-97-6
C₁₃H₁₄FN₃O

: 30988-17-1
methyl 2-isocyanatoacetate

: C₁₇H₁₉FN₄O₄

Guidance literature:: In dichloromethane; at 20 ℃;
DOI:10.1016/j.bmcl.2014.07.089

Reference yield: 84.0%

: 2516-34-9
cyclobutylamine

: 30988-17-1
methyl 2-isocyanatoacetate

: E-4-((ethoxycarbonyl)oxy)but-2-enoic acid

: 122-78-1
phenylacetaldehyde

: methyl (E)-(1-(4-((ethoxycarbonyl)oxy)-N-phenethylbut-2-enamido)cyclobutane-1-carbonyl)glycinate

Guidance literature:: cyclobutylamine; phenylacetaldehyde; In methanol; for 0.5h;

E-4-((ethoxycarbonyl)oxy)but-2-enoic acid; In methanol; for 0.0833333h;

methyl 2-isocyanatoacetate; In methanol; for 24h;
DOI:10.1021/acs.joc.9b01994