2-Isocyanosuccinic acid dimethyl ester

Base Information

Chemical Name:2-Isocyanosuccinic acid dimethyl ester
CAS No.:730964-72-4
Molecular Formula:C7H9NO4
Molecular Weight:171.15
Hs Code.:2926909090
DSSTox Substance ID:DTXSID00374798
Mol file:730964-72-4.mol

Synonyms:2-Isocyanosuccinic acid dimethyl ester;730964-72-4;Dimethyl 2-isocyanobutanedioate;1,4-DIMETHYL 2-ISOCYANOBUTANEDIOATE;dimethyl-2-isocyanosuccinate;DTXSID00374798;AKOS006292939;GS-0328;CS-0253437;EN300-6435335

Suppliers and Price of 2-Isocyanosuccinic acid dimethyl ester

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
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price

Total 8 raw suppliers

Chemical Property of 2-Isocyanosuccinic acid dimethyl ester

Chemical Property:

PSA：52.60000
LogP:-0.75890
XLogP3:-0.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:171.05315777
Heavy Atom Count:12
Complexity:227

Purity/Quality:: 98% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of 2-Isocyanosuccinic acid dimethyl ester

There total 3 articles about 2-Isocyanosuccinic acid dimethyl ester 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: 41.0%

: 2311-19-5
rac-dimethyl 2-formamidosuccinate

: 730964-72-4
dimethyl 2-isocyanosuccinate

Guidance literature:: With triethylamine; trichlorophosphate; In dichloromethane; for 1h;
DOI:10.1016/j.tetlet.2005.08.101

Reference yield:

: 32213-95-9
DL-aspartic acid dimethyl ester hydrochloride

: 730964-72-4
dimethyl 2-isocyanosuccinate

Guidance literature:: Multi-step reaction with 2 steps

1: triethylamine / 16 h / 50 °C / Inert atmosphere

2: diisopropylamine; trichlorophosphate / dichloromethane / 1.5 h / -30 °C / Inert atmosphere

With triethylamine; diisopropylamine; trichlorophosphate; In dichloromethane;
DOI:10.1021/ja506031h

Reference yield:

: 1835-51-4
(RS)-2-amino-3-methoxycarbonylpropionic acid

: 730964-72-4
dimethyl 2-isocyanosuccinate

Guidance literature:: Multi-step reaction with 3 steps

1: thionyl chloride / 2 h / 20 °C / Inert atmosphere

2: triethylamine / 16 h / 50 °C / Inert atmosphere

3: diisopropylamine; trichlorophosphate / dichloromethane / 1.5 h / -30 °C / Inert atmosphere

With thionyl chloride; triethylamine; diisopropylamine; trichlorophosphate; In dichloromethane;
DOI:10.1021/ja506031h