2-(5-Acetylthiophen-3-yl)acetic acid

Base Information

• Chemical Name: 2-(5-Acetylthiophen-3-yl)acetic acid
• CAS No.: 41908-06-9
• Molecular Formula: C₈H₈O₃S
• Molecular Weight: 184.216
• DSSTox Substance ID: DTXSID40362851
• Wikidata: Q82146331
• Mol file: 41908-06-9.mol

Synonyms:2-(5-acetylthiophen-3-yl)acetic acid;41908-06-9;(5-ACETYL-3-THIENYL)ACETIC ACID;2-(5-acetyl-3-thienyl)acetic acid;3-Thiopheneacetic acid, 5-acetyl-;(5-acetylthiophen-3-yl)acetic acid;5-acetyl-3-thienylacetic acid;SCHEMBL1363923;DTXSID40362851;MFCD03990650;STK689073;2-(5-acetylthiophen-3-yl)aceticacid;AKOS005601418;NCGC00340707-01;BS-37630;CS-0315993;FT-0733973;(5-Acetyl-3-thienyl)acetic acid, AldrichCPR;AB01333060-02

Chemical Property of 2-(5-Acetylthiophen-3-yl)acetic acid

Chemical Property:

• Vapor Pressure: 8.29E-07mmHg at 25°C
• Boiling Point: 390.8±32.0 °C(Predicted)
• PKA: 4.14±0.10(Predicted)
• Density: 1.335±0.06 g/cm3(Predicted)
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 184.01941529
• Heavy Atom Count: 12
• Complexity: 203

Purity/Quality:

99% ^*data from raw suppliers

(5-acetyl-3-thienyl)aceticacid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi,Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C1=CC(=CS1)CC(=O)O

Technology Process of 2-(5-Acetylthiophen-3-yl)acetic acid

There total 2 articles about 2-(5-Acetylthiophen-3-yl)acetic acid 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-3 thiophene acetate (37784-63-7) + acetyl chloride (75-36-5) → 2-acetyl-4-thienylacetic acid (41908-06-9) + 2-acetyl-3-thienylacetic acid (132526-00-2)

Guidance literature:

With potassium hydroxide; tin(IV) chloride; Yield given. Multistep reaction. Yields of byproduct given; 1) CH₂Cl₂, 2) THF, MeOH, RT, 2 h;

Reference yield:

→ 2-acetyl-4-thienylacetic acid (41908-06-9)

Guidance literature:

4-Cynomethyl-2-acetothienon, konz.HCl;

DOI:10.1007/BF00471522

upstream raw materials:

ethyl-3 thiophene acetate

acetyl chloride

Refernces