[2-Phenyl-4-(thiophen-2-yl)-1,3-thiazol-5-yl]acetate

Base Information

• Chemical Name: [2-Phenyl-4-(thiophen-2-yl)-1,3-thiazol-5-yl]acetate
• CAS No.: 23821-62-7
• Molecular Formula: C₁₅H₁₁NO₂S₂
• Molecular Weight: 301.39
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID90946620
• Wikidata: Q82924238
• Mol file: 23821-62-7.mol

Synonyms:DTXSID90946620;[2-Phenyl-4-(thiophen-2-yl)-1,3-thiazol-5-yl]acetate

Chemical Property of [2-Phenyl-4-(thiophen-2-yl)-1,3-thiazol-5-yl]acetate

Chemical Property:

• Vapor Pressure: 2.15E-12mmHg at 25°C
• Boiling Point: 537.7°Cat760mmHg
• PKA: 3.87±0.10(Predicted)
• Flash Point: 279°C
• PSA: 106.67000
• Density: 1.372g/cm³
• LogP: 4.16570
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 300.01529591
• Heavy Atom Count: 20
• Complexity: 341

Purity/Quality:

99% ^*data from raw suppliers

[2-Phenyl-4-(2-thienyl)-1,3-thiazol-5-yl]acetic acid Aldrich ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=NC(=C(S2)CC(=O)[O-])C3=CC=CS3

Technology Process of [2-Phenyl-4-(thiophen-2-yl)-1,3-thiazol-5-yl]acetate

There total 2 articles about [2-Phenyl-4-(thiophen-2-yl)-1,3-thiazol-5-yl]acetate 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:

3-bromo-4-oxo-4-thiophen-2-yl-butyric acid (53515-21-2) + benzenecarbothioamide (2227-79-4) → (2-phenyl-4-thiophen-2-yl-thiazol-5-yl)-acetic acid (23821-62-7)

Guidance literature:

With sodium carbonate; In isopropyl alcohol;

DOI:10.1021/jm00257a010

Reference yield:

→ (2-phenyl-4-thiophen-2-yl-thiazol-5-yl)-acetic acid (23821-62-7)

Guidance literature:

entspr.4-Hydroxythiazolin/p-TsOH;

upstream raw materials:

3-bromo-4-oxo-4-thiophen-2-yl-butyric acid

benzenecarbothioamide