Ethyl 2-(benzamidomethyl)-1,3-thiazole-4-carboxylate

Base Information

• Chemical Name: Ethyl 2-(benzamidomethyl)-1,3-thiazole-4-carboxylate
• CAS No.: 88219-00-5
• Molecular Formula: C₁₄H₁₄N₂O₃S
• Molecular Weight: 290.343
• NSC Number: 143135
• DSSTox Substance ID: DTXSID20301405
• Wikidata: Q82045269
• Mol file: 88219-00-5.mol

Synonyms:88219-00-5;NSC 143135;ethyl 2-(benzamidomethyl)-1,3-thiazole-4-carboxylate;NSC143135;SCHEMBL7260803;DTXSID20301405;NSC-143135

Chemical Property of Ethyl 2-(benzamidomethyl)-1,3-thiazole-4-carboxylate

Chemical Property:

• Vapor Pressure: 3.87E-10mmHg at 25°C
• Boiling Point: 500.2°Cat760mmHg
• Flash Point: 256.3°C
• Density: 1.275g/cm³
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 290.07251349
• Heavy Atom Count: 20
• Complexity: 345

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=CSC(=N1)CNC(=O)C2=CC=CC=C2

Technology Process of Ethyl 2-(benzamidomethyl)-1,3-thiazole-4-carboxylate

There total 4 articles about Ethyl 2-(benzamidomethyl)-1,3-thiazole-4-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:

ethyl Bromopyruvate (70-23-5) + N-(2-amino-2-thioxoethyl)benzamide (55443-42-0) → ethyl 2-(benzamidomethyl)thiazole-4-carboxylate (88219-00-5)

Guidance literature:

With 1,4-dioxane; benzene;

DOI:10.1039/jr9470001372

Reference yield:

2-oxo-propionic acid ethyl ester (617-35-6) → ethyl 2-(benzamidomethyl)thiazole-4-carboxylate (88219-00-5)

Guidance literature:

Multi-step reaction with 2 steps

1: CCl₄; bromine

2: dioxane; benzene

With 1,4-dioxane; tetrachloromethane; bromine; benzene;

DOI:10.1039/jr9470001372

Reference yield:

2-benzamido-ethanenitrile (5692-27-3) → ethyl 2-(benzamidomethyl)thiazole-4-carboxylate (88219-00-5)

Guidance literature:

Multi-step reaction with 2 steps

1: methanol; ammonia; hydrogen sulfide

2: dioxane; benzene

With 1,4-dioxane; methanol; hydrogen sulfide; ammonia; benzene;

DOI:10.1039/jr9470001372

upstream raw materials:

ethyl Bromopyruvate

N-(2-amino-2-thioxoethyl)benzamide

2-oxo-propionic acid ethyl ester

2-benzamido-ethanenitrile

Downstream raw materials:

(S)-N-Boc-(glu)Thz-(gly)Thz γ-benzyl ester, ethyl ester

(S)-1-[(S)-2-((S)-2-{[2-(1-{[2-(tert-Butoxycarbonylamino-methyl)-thiazole-4-carbonyl]-amino}-3-carbamoyl-propyl)-thiazole-4-carbonyl]-amino}-3-methyl-butyrylamino)-4-methyl-pentanoyl]-pyrrolidine-2-carboxylic acid 2,4,5-trichloro-phenyl ester

(S)-1-((S)-2-{(S)-2-[(2-{1-[(2-Aminomethyl-thiazole-4-carbonyl)-amino]-3-carbamoyl-propyl}-thiazole-4-carbonyl)-amino]-3-methyl-butyrylamino}-4-methyl-pentanoyl)-pyrrolidine-2-carboxylic acid 2,4,5-trichloro-phenyl ester; compound with trifluoro-acetic acid

2-((tert-butoxycarbonylamino)methyl)thiazole-4-carboxylic acid