Ethyl 4-isocyanobenzoate

Base Information

Chemical Name:Ethyl 4-isocyanobenzoate
CAS No.:1983-99-9
Molecular Formula:C10H9NO2
Molecular Weight:175.187
Hs Code.:
European Community (EC) Number:858-672-3
DSSTox Substance ID:DTXSID00941661
Nikkaji Number:J1.135.558G
Wikidata:Q82918559

Synonyms:Ethyl 4-isocyanobenzoate;1983-99-9;Benzoic acid, p-isocyano-, ethyl ester;Benzoic acid, 4-isocyano-, ethyl ester;SCHEMBL3445968;DTXSID00941661;4-Isocyanobenzoic acid ethyl ester;LS-37747;1-(ETHOXYCARBONYL)-4-ISOCYANOBENZENE;EN300-6511748

Suppliers and Price of Ethyl 4-isocyanobenzoate

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

Total 3 raw suppliers

Chemical Property of Ethyl 4-isocyanobenzoate

Chemical Property:

XLogP3:2.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:175.063328530
Heavy Atom Count:13
Complexity:220

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s): Low toxicity by ingestion.
Hazard Codes:Low toxicity by ingestion.

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCOC(=O)C1=CC=C(C=C1)[N+]#[C-]

Technology Process of Ethyl 4-isocyanobenzoate

There total 5 articles about Ethyl 4-isocyanobenzoate 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: 90.0%

: C₁₀H₉Cl₂NO₂

: 1983-99-9
4-(ethoxycarbonyl)phenyl isocyanide

Guidance literature:: With lithium perchlorate; In N,N-dimethyl-formamide; at 15 ℃; Electrolysis;
DOI:10.1016/S0040-4020(99)00509-8

Reference yield: 88.0%

: 5422-63-9
N-(4-ethoxycarbonylphenyl)formamide

: 1983-99-9
4-(ethoxycarbonyl)phenyl isocyanide

Guidance literature:: With O-phenyl phosphorodichloridate; triethylamine; In dichloromethane; at 20 ℃; for 1h;
DOI:10.1055/s-0030-1260211

Reference yield:

: 150-13-0,159246-81-8,8014-65-1
4-amino-benzoic acid

: 1983-99-9
4-(ethoxycarbonyl)phenyl isocyanide

Guidance literature:: Multi-step reaction with 3 steps

1: sulfuric acid / water / 6 h / Reflux

2: acetic acid / Reflux

3: trichlorophosphate; triethylamine / tetrahydrofuran / 0 - 25 °C / Inert atmosphere

With sulfuric acid; acetic acid; triethylamine; trichlorophosphate; In tetrahydrofuran; water;
DOI:10.1002/anie.201803300