Ethyl isocyanoacetate

Base Information Edit

Chemical Name:Ethyl isocyanoacetate
CAS No.:2999-46-4
Molecular Formula:C5H7NO2
Molecular Weight:113.116
Hs Code.:29299090
European Community (EC) Number:221-077-9
DSSTox Substance ID:DTXSID20184078
Nikkaji Number:J150.099F
Wikidata:Q72475591
Mol file:2999-46-4.mol

Synonyms:Ethyl isocyanoacetate;2999-46-4;ethyl 2-isocyanoacetate;Isocyanoacetic Acid Ethyl Ester;Acetic acid, isocyano-, ethyl ester;EINECS 221-077-9;ETHYLISOCYANOACETATE;MFCD00000007;Acetic acid, 2-isocyano-, ethyl ester;ethyl iso-cyanoacetate;ethyl isocyano-acetate;ethyl 2-isocyanoacetat;ethyl isocyano- acetate;ethyl-2-isocyanoacetate;SCHEMBL7225;Ethyl isocyanoacetate(EICA);isocyano-acetic acid ethylester;AMY403;isocyano-acetic acid ethyl ester;DTXSID20184078;BCP11231;STR02697;BBL021319;GEO-01356;STK894028;AKOS005144095;AB00104;SB40700;2-ISOCYANO-ACETIC ACID ETHYL ESTER;BB 0262985;FT-0627402;I0562;EN300-50660;J-017729;J-521262;F0001-2483

Suppliers and Price of Ethyl isocyanoacetate

Supply Marketing:Edit

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
Ethyl isocyanoacetate
25 g
$ 275.00

TRC
Ethyl isocyanoacetate
5 g
$ 100.00

TCI Chemical
Ethyl Isocyanoacetate >97.0%(GC)
5g
$ 84.00

TCI Chemical
Ethyl Isocyanoacetate >97.0%(GC)
25g
$ 292.00

Sigma-Aldrich
Ethyl isocyanoacetate 95%
5g
$ 107.00

Sigma-Aldrich
Ethyl isocyanoacetate 95%
25g
$ 279.00

Oakwood
Ethyl 2-isocyanoacetate
25g
$ 125.00

Oakwood
Ethyl 2-isocyanoacetate
5g
$ 35.00

Oakwood
Ethyl 2-isocyanoacetate
1g
$ 15.00

Matrix Scientific
Ethyl isocyanoacetate 97%
25g
$ 89.00

Total 74 raw suppliers

Chemical Property of Ethyl isocyanoacetate Edit

Chemical Property:

Appearance/Colour:Light yellow to brom liquid
Vapor Pressure:61.7Pa at 25℃
Melting Point:194-196 °C(lit.)
Refractive Index:n20/D 1.418(lit.)
Boiling Point:194-196°C(lit.)
Flash Point:84 °C
PSA：26.30000
Density:1.03 g/cm³
LogP:-0.30050
Storage Temp.:2-8°C
Sensitive.:Moisture & Light Sensitive
Water Solubility.:Miscible with organic solvents. Slightly miscible with water.
XLogP3:0.4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:113.047678466
Heavy Atom Count:8
Complexity:122

Purity/Quality:

99% ^*data from raw suppliers

Ethyl isocyanoacetate ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xn
Hazard Codes:Xn
Statements: 20/22-20/21/22
Safety Statements: 36/37/39-26-36/37-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Canonical SMILES:CCOC(=O)C[N+]#[C-]
Uses Ethyl Isocyanoacetate, is a cyclization synthon used to prepare pyrroles, oxazolines, benzodiazepines, oxazoles and imidazoles. Ethyl isocyanoacetate can be used to prepare pyrroles,1,2 oxazolines, benzodiazepines, oxazoles and imidazoles. Ethyl isocyanoacetate is used in the syntheses of 7-aza-tetrahydroindoles, oxazolines, benzodiazepines, imidazoles and oxazoles. For example, it is involved in the synthesis of 1H-indole-2-carboxylate by condensing with 2-bromo benzenealdehyde using CuI as a catalyst. It is a precursor used in the preparation of ethyl thiazole-4-carboxylate upon reaction with O-ethyl thioformate.

Technology Process of Ethyl isocyanoacetate

There total 8 articles about Ethyl isocyanoacetate 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: 100.0%

: 3154-51-6
ethyl N-formylglycinate

: 2999-46-4
Ethyl isocyanoacetate

Guidance literature:: With triethylamine; trichlorophosphate; In dichloromethane; at 5 - 20 ℃; Inert atmosphere; Cooling with ice;
DOI:10.1021/ja907428e