3-Thienylglyoxylic acid

Base Information

• Chemical Name: 3-Thienylglyoxylic acid
• CAS No.: 39684-36-1
• Molecular Formula: C6H4O3S
• Molecular Weight: 156.16
• DSSTox Substance ID: DTXSID40364875
• Wikidata: Q82149062
• Mol file: 39684-36-1.mol

Synonyms:3-THIENYLGLYOXYLIC ACID;39684-36-1;2-Oxo-2-(thiophen-3-yl)acetic acid;2-oxo-2-thiophen-3-ylacetic acid;Thien-3-ylglyoxylic acid;Thien-3-yl-glyoxylic acid;SCHEMBL3957096;DTXSID40364875;AKOS006279773;FT-0622192;EN300-1837346

Chemical Property of 3-Thienylglyoxylic acid

Chemical Property:

• Vapor Pressure: 0.00265mmHg at 25°C
• Refractive Index: 1.605
• Boiling Point: 274.2 °C at 760 mmHg
• Flash Point: 119.7 °C
• PSA: 82.61000
• Density: 1.486 g/cm³
• LogP: 1.01540
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 155.98811516
• Heavy Atom Count: 10
• Complexity: 166

Purity/Quality:

99% ^*data from raw suppliers

ALPHA-OXO-3-THIOPHENEACETIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CSC=C1C(=O)C(=O)O

Technology Process of 3-Thienylglyoxylic acid

There total 7 articles about 3-Thienylglyoxylic 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:

methyl 2-oxo-2-(thiophen-3-yl)acetate (104749-67-9) → 2-oxo-2-(thiophen-3-yl)acetic acid (39684-36-1)

Guidance literature:

With sodium hydroxide; In water; at 20 ℃;

DOI:10.1055/a-1373-7017

Reference yield:

1-(thiophen-3-yl)-ethanone (1468-83-3) → 2-oxo-2-(thiophen-3-yl)acetic acid (39684-36-1)

Guidance literature:

With selenium(IV) oxide;

DOI:10.1002/chem.201402516

Reference yield:

ethyl 2-oxo-2-(thiophen-3-yl)acetate (53091-09-1) → 2-oxo-2-(thiophen-3-yl)acetic acid (39684-36-1)

Guidance literature:

With sodium hydroxide; In water; at 0 - 20 ℃; for 6h;

DOI:10.1021/acs.orglett.0c01489

upstream raw materials:

1-(thiophen-3-yl)-ethanone

ethyl 2-oxo-2-(thiophen-3-yl)acetate

methyl 2-oxo-2-(thiophen-3-yl)acetate

2-(thiophen-3-yl)-2-((trimethylsilyl)oxy)acetonitrile

Downstream raw materials:

di(thiophen-3-yl)methanone

N-Benzyl-(3-thienyl)glyoxylohydroxamsaeure

Refernces

• 1、 Hunjan, Mandeep Kaur,Laha, Joydev K.,Tinwala, Ummehani. "Minisci aroylation of N-heterocycles using choline persulfate in water under mild conditions". . p. 22853 - 22859. Retrieved 2021/12/24.
• 2、 Li, Bowen,Aliyu, Muinat A.,Gao, Zhenhua,Li, Tiejun,Dong, Wei,Li, Junchen,Shi, Enxue,Tang, Wenjun. "General Synthesis of Chiral α,α-Diaryl Carboxamides by Enantioselective Palladium-Catalyzed Cross-Coupling". supporting information. p. 4974 - 4978. Retrieved 2020/07/03.