Ethyl 2-isocyanopropanoate

Base Information

Chemical Name:Ethyl 2-isocyanopropanoate
CAS No.:33140-27-1
Molecular Formula:C6H9NO2
Molecular Weight:127.143
Hs Code.:2926909090
DSSTox Substance ID:DTXSID50404377
Nikkaji Number:J1.369.319F
Mol file:33140-27-1.mol

Synonyms:Ethyl 2-isocyanopropanoate;33140-27-1;ethyl 2-isocyanopropionate;Ethyl2-isocyanopropanoate;ethyl alpha-isocyanopropionate;SCHEMBL2206905;DTXSID50404377;AQUISJFHBNLTCK-UHFFFAOYSA-N;MFCD02664649;AKOS001475809;BS-27985

Suppliers and Price of Ethyl 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
Ethyl2-isocyanopropanoate
100mg
$ 125.00

TRC
Ethyl2-isocyanopropanoate
50mg
$ 90.00

TRC
Ethyl2-isocyanopropanoate
25mg
$ 60.00

American Custom Chemicals Corporation
ETHYL 2-ISOCYANOPROPANOATE 95.00%
5MG
$ 502.85

Total 6 raw suppliers

Chemical Property of Ethyl 2-isocyanopropanoate

Chemical Property:

PSA：26.30000
LogP:0.08800
XLogP3:0.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:127.063328530
Heavy Atom Count:9
Complexity:144

Purity/Quality:

99% ^*data from raw suppliers

Ethyl2-isocyanopropanoate ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of Ethyl 2-isocyanopropanoate

There total 3 articles about Ethyl 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:

: 5006-20-2
5-ethoxy-4-methyl-oxazole

: 5417-35-6
2-isopropyl-4,7-dihydro-[1,3]dioxepine

: 5205-63-0
Diels-Alder adduct

: 33140-27-1
ethyl 2-isocyanopropionate

: 1622-67-9
4,5'-O-isobutylidenepyridoxine

Guidance literature:: at 90 - 155 ℃; for 4 - 24h; under 112.511 - 760.051 Torr; Product distribution / selectivity;

Reference yield:

: 4289-99-0
ethyl N-formyl-2-aminopropanoate

: 33140-27-1
ethyl 2-isocyanopropionate

Guidance literature:: With triethylamine; In chloroform;
DOI:10.1246/bcsj.44.1407

Reference yield:

: 17344-99-9
AlaOEt

: 33140-27-1
ethyl 2-isocyanopropionate

Guidance literature:: Multi-step reaction with 2 steps

1: acetic anhydride / formic acid / 5 h / 20 °C

2: trichlorophosphate; triethylamine / tetrahydrofuran / 2 h / -78 - 20 °C / Inert atmosphere

With acetic anhydride; triethylamine; trichlorophosphate; In tetrahydrofuran; formic acid;
DOI:10.1039/c3cc39088h