Ethyl 4-(bromomethyl)-2-phenyl-1,3-thiazole-5-carboxylate

Base Information

Chemical Name:Ethyl 4-(bromomethyl)-2-phenyl-1,3-thiazole-5-carboxylate
CAS No.:79116-08-8
Molecular Formula:C13H12BrNO2S
Molecular Weight:326.214
Hs Code.:
DSSTox Substance ID:DTXSID00508511
Nikkaji Number:J1.713.022F
Wikidata:Q82365491

Synonyms:79116-08-8;ethyl 4-(bromomethyl)-2-phenyl-1,3-thiazole-5-carboxylate;SCHEMBL1316673;DTXSID00508511;UIBKHCBQYJSUIW-UHFFFAOYSA-N;Ethyl 4-(bromomethyl)-2-phenylthiazole-5-carboxylate;4-Bromomethyl-2-phenyl-thiazole-5-carboxylic acid ethyl ester

Suppliers and Price of Ethyl 4-(bromomethyl)-2-phenyl-1,3-thiazole-5-carboxylate

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 1 raw suppliers

Chemical Property of Ethyl 4-(bromomethyl)-2-phenyl-1,3-thiazole-5-carboxylate

Chemical Property:

XLogP3:3.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:324.97721
Heavy Atom Count:18
Complexity:284

Purity/Quality:: 85.0-99.8% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCOC(=O)C1=C(N=C(S1)C2=CC=CC=C2)CBr

Technology Process of Ethyl 4-(bromomethyl)-2-phenyl-1,3-thiazole-5-carboxylate

There total 4 articles about Ethyl 4-(bromomethyl)-2-phenyl-1,3-thiazole-5-carboxylate 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:

: 7210-76-6
ethyl-2-amino-4-methylthiazole-5-carboxylate

: 79116-08-8
ethyl 2-phenyl-4-bromomethylthiazole-5-carboxylate

Guidance literature:: Multi-step reaction with 3 steps

1: copper(ll) bromide; tert.-butylnitrite / acetonitrile; N,N-dimethyl-formamide / 1 h / 0 - 60 °C

2: caesium carbonate; tetrakis(triphenylphosphine) palladium⁽⁰⁾ / 1,4-dioxane; water / 12 h / 80 °C

3: N-Bromosuccinimide; 2,2'-azobis(isobutyronitrile) / tetrachloromethane / 20 °C

With N-Bromosuccinimide; tetrakis(triphenylphosphine) palladium⁽⁰⁾; tert.-butylnitrite; 2,2'-azobis(isobutyronitrile); caesium carbonate; copper(ll) bromide; In 1,4-dioxane; tetrachloromethane; water; N,N-dimethyl-formamide; acetonitrile; 1: |Sandmeyer Reaction;
DOI:10.1016/j.cclet.2016.01.040

Reference yield:

: 22900-83-0
ethyl 2-bromo-4-methyl-1,3-thiazole-5-carboxylate

: 79116-08-8
ethyl 2-phenyl-4-bromomethylthiazole-5-carboxylate

Guidance literature:: Multi-step reaction with 2 steps

1: caesium carbonate; tetrakis(triphenylphosphine) palladium⁽⁰⁾ / 1,4-dioxane; water / 12 h / 80 °C

2: N-Bromosuccinimide; 2,2'-azobis(isobutyronitrile) / tetrachloromethane / 20 °C

With N-Bromosuccinimide; tetrakis(triphenylphosphine) palladium⁽⁰⁾; 2,2'-azobis(isobutyronitrile); caesium carbonate; In 1,4-dioxane; tetrachloromethane; water;
DOI:10.1016/j.cclet.2016.01.040

Reference yield:

: 2227-79-4
benzenecarbothioamide

: 79116-08-8
ethyl 2-phenyl-4-bromomethylthiazole-5-carboxylate

Guidance literature:: Multi-step reaction with 2 steps

1: ethanol / 0.5 h / 100 °C / Microwave irradiation

2: N-Bromosuccinimide; dibenzoyl peroxide / tetrachloromethane / 3 h / 80 °C

With N-Bromosuccinimide; dibenzoyl peroxide; In tetrachloromethane; ethanol;
DOI:10.1021/acs.jmedchem.1c01647