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

Base Information

• Chemical Name: Ethyl 2-(4-chlorophenyl)-1,3-thiazole-4-carboxylate
• CAS No.: 61786-00-3
• Molecular Formula: C12H10ClNO2S
• Molecular Weight: 267.736
• Hs Code.: 2934100090
• DSSTox Substance ID: DTXSID20384076
• Nikkaji Number: J2.819.082D
• Wikidata: Q82175997
• Mol file: 61786-00-3.mol

Synonyms:61786-00-3;Ethyl 2-(4-chlorophenyl)thiazole-4-carboxylate;ethyl 2-(4-chlorophenyl)-1,3-thiazole-4-carboxylate;2-(4-CHLORO-PHENYL)-THIAZOLE-4-CARBOXYLIC ACID ETHYL ESTER;2-(4-chlorophenyl)thiazole-4-carboxylic acid ethyl ester;Bionet2_000328;SCHEMBL8345149;DTXSID20384076;XNLWONXVKLZJMC-UHFFFAOYSA-N;HMS1364O20;CCG-50097;MFCD00142031;AKOS005069595;AB03811;12F-323S;CS-0213441;FT-0680060;Ethyl2-(4-chlorophenyl)thiazole-4-carboxylate;A833417;SR-01000639501-1

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

Chemical Property:

• Vapor Pressure: 2.9E-06mmHg at 25°C
• Melting Point: 99-101°
• Refractive Index: 1.588
• Boiling Point: 389.2°C at 760 mmHg
• Flash Point: 189.2°C
• PSA: 67.43000
• Density: 1.313g/cm³
• LogP: 3.64020
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 267.0120774
• Heavy Atom Count: 17
• Complexity: 269

Purity/Quality:

97% ^*data from raw suppliers

2-(4-Chlorophenyl)thiazole-4-carboxylicAcidEthylEster ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=CSC(=N1)C2=CC=C(C=C2)Cl
• Uses: 2-(4-Chlorophenyl)thiazole-4-carboxylic Acid Ethyl Ester

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

There total 11 articles about Ethyl 2-(4-chlorophenyl)-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: 85.0%

ethyl Bromopyruvate (70-23-5) + 4-chlorothiobenzamide (2521-24-6) → ethyl 2-(4-chlorophenyl)thiazole-4-carboxylate (61786-00-3)

Guidance literature:

With sodium carbonate; In neat (no solvent); Milling;

DOI:10.1016/j.ejmech.2016.07.033

Reference yield: 83.0%

C12H12ClNO2S (1221437-18-8) → ethyl 2-(4-chlorophenyl)thiazole-4-carboxylate (61786-00-3)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 80 ℃; for 2h; Molecular sieve;

DOI:10.1016/j.tetlet.2010.01.091

Reference yield: 80.0%

L-cysteine ethyl ester hydrochloride (868-59-7) + 4-chlorobenzaldehyde (104-88-1) → ethyl 2-(4-chlorophenyl)thiazole-4-carboxylate (61786-00-3)

Guidance literature:

L-cysteine ethyl ester hydrochloride; 4-chlorobenzaldehyde; With sodium hydrogencarbonate; In ethanol; water; at 60 ℃; for 8h;

With [bis(acetoxy)iodo]benzene; In dichloromethane; at 40 ℃; for 4h;

DOI:10.24820/ark.5550190.p010.362

upstream raw materials:

ethyl diazopyruvate

4-chlorothiobenzamide

(2-chloro-phenyl)-thioacetic acid amide

C₁₂H₁₂ClNO₂S

Downstream raw materials:

2-(4-chlorophenyl)thiazole-4-carboxylic acid

2-(4-chlorophenyl)-4-thiazolecarboxylic acid chloride

2-(4-chlorophenyl)-1,3-thiazole-4-carbohydrazide

methyl 2-(2-(4-chlorophenyl)thiazole-4-carboxamido)-3-methylbutanoate