Hydroxy(phenyl)2-thienylacetic acid

Base Information

• Chemical Name: Hydroxy(phenyl)2-thienylacetic acid
• CAS No.: 28560-51-2
• Molecular Formula: C12H10O3S
• Molecular Weight: 234.276
• DSSTox Substance ID: DTXSID101269268
• Metabolomics Workbench ID: 63386
• Wikidata: Q27133286
• Mol file: 28560-51-2.mol

Synonyms:hydroxy(phenyl)2-thienylacetic acid;28560-51-2;phenyl(2-thienyl)glycolic acid;2-hydroxy-2-phenyl-2-thiophen-2-ylacetic acid;2-hydroxy-2-phenyl-2-(thiophen-2-yl)acetic acid;2-hydroxy-2-(2-thenyl)phenylacetic acid;2-hydroxy-2-phenyl-2-(2-thienyl)acetic acid;CHEBI:64444;starbld0028193;Epitope ID:167702;SCHEMBL73656;BIHFCPRVAAVAPP-UHFFFAOYSA-N;DTXSID101269268;hydroxy(phenyl)-2-thienylacetic acid;MFCD19302963;AKOS016401561;NS-03113;alpha-phenyl-alpha-(2-thienyl)glycolic acid;alpha-Hydroxy-alpha-phenyl-2-thiopheneacetic acid;Q27133286

Chemical Property of Hydroxy(phenyl)2-thienylacetic acid

Chemical Property:

• XLogP3: 2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 234.03506535
• Heavy Atom Count: 16
• Complexity: 263

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(C2=CC=CS2)(C(=O)O)O

Technology Process of Hydroxy(phenyl)2-thienylacetic acid

There total 7 articles about Hydroxy(phenyl)2-thienylacetic 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: 53.0%

2-thiopheneglyoxylic acid (4075-59-6) + phenylmagnesium bromide (100-58-3) → 2-hydroxy-2-phenyl-2-(thiophen-2-yl)acetic acid (28560-51-2)

Guidance literature:

In diethyl ether; at 0 - 20 ℃; for 24.5h;

DOI:10.1002/cmdc.202000865

Reference yield:

oxothien-2-yl-acetic acid 1-azabicyclo[2.2.2]oct-3(R)-yl ester (320348-21-8) → 2-Hydroxy-2-phenyl-2-thien-2-ylacetic Acid 1-azabicyclo[2.2.2]oct-3(R)-yl Ester (26758-54-3) + 2-hydroxy-2-phenyl-2-(thiophen-2-yl)acetic acid (28560-51-2)

Guidance literature:

In isopropyl alcohol;

Reference yield:

1-phenyl-2-(2-thienyl)ethanedione (30135-07-0) → 2-hydroxy-2-phenyl-2-(thiophen-2-yl)acetic acid (28560-51-2)

Guidance literature:

With potassium hydroxide;

DOI:10.1021/ja01613a068

upstream raw materials:

phenylglyoxylic acid ethyl ester

2-thienylmagnesium iodide

1-phenyl-2-(2-thienyl)ethanedione

thiophen-2-yl magnesium bromide

Downstream raw materials:

2-Benzoylthiophene

4'-Biphenylyl(2-thienyl)acetic acid

Phenyl(5-phenyl-2-thienyl)acetic acid

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