Methyl 2-isocyanopropanoate

Base Information

Chemical Name:Methyl 2-isocyanopropanoate
CAS No.:33115-74-1
Molecular Formula:C₅H₇NO₂
Molecular Weight:113.116
Hs Code.:2926909090
European Community (EC) Number:673-580-1
DSSTox Substance ID:DTXSID90370502
Nikkaji Number:J2.508.304K
Mol file:33115-74-1.mol

Synonyms:Methyl 2-isocyanopropanoate;33115-74-1;2-Isocyanopropionic acid methyl ester;METHYL 2-ISOCYANOPROPIONATE, 96;methyl-2-isocyanopropionate;Methyl2-isocyanopropanoate;methyl alpha-isocyanopropionate;SCHEMBL9423011;DTXSID90370502;UFGJMIRODOAASM-UHFFFAOYSA-N;Methyl alpha-methylisocyano-acetate;AC8795;MFCD04117544;2-Isocyanopropanoic acid methyl ester;AKOS006292672;GS-0327;SY204645;EN300-258152

Suppliers and Price of Methyl 2-isocyanopropanoate

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
2-Isocyanopropionicacidmethylester
100mg
$ 220.00

AK Scientific
Methyl2-isocyanopropanoate
5g
$ 1403.00

Total 8 raw suppliers

Chemical Property of Methyl 2-isocyanopropanoate

Chemical Property:

PSA：26.30000
LogP:-0.30210
XLogP3:0.4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:113.047678466
Heavy Atom Count:8
Complexity:133

Purity/Quality:

97% ^*data from raw suppliers

2-Isocyanopropionicacidmethylester ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C(=O)OC)[N+]#[C-]

Technology Process of Methyl 2-isocyanopropanoate

There total 3 articles about Methyl 2-isocyanopropanoate 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: 62.0%

: 44804-83-3
N-formyl-D,L-alanine methyl ester

: 39748-15-7,33115-74-1
methyl 2-isocyanopropanoate

Guidance literature:: With triethylamine; trichlorophosphate; In tetrahydrofuran; at 0 ℃; for 2h;
DOI:10.1021/jo070840x

Reference yield:

: 32221-83-3
(S)-N-formylalanine methyl ester

: 39748-15-7,33115-74-1
methyl 2-isocyanopropanoate

Guidance literature:: Multi-step reaction with 2 steps

1: 4-methyl-morpholine; bis(trichloromethyl) carbonate / dichloromethane / 2.17 h / -78 °C / Inert atmosphere

2: benzylamine / methanol / 20 h

With 4-methyl-morpholine; bis(trichloromethyl) carbonate; benzylamine; In methanol; dichloromethane;
DOI:10.1021/jo201817k