1-(Thiophen-2-yl)cyclopropanecarboxylic acid

Base Information

• Chemical Name: 1-(Thiophen-2-yl)cyclopropanecarboxylic acid
• CAS No.: 162959-94-6
• Molecular Formula: C8H8O2S
• Molecular Weight: 168.21300
• Hs Code.: 2934999090
• European Community (EC) Number: 852-609-3
• DSSTox Substance ID: DTXSID00597026
• Wikidata: Q82492486
• Mol file: 162959-94-6.mol

Synonyms:1-(Thiophen-2-yl)cyclopropanecarboxylic acid;162959-94-6;1-(thien-2-yl)cyclopropanecarboxylic acid;1-(thiophen-2-yl)cyclopropane-1-carboxylic acid;Cyclopropanecarboxylic acid, 1-(2-thienyl)-;C8H8O2S;1-thiophen-2-ylcyclopropane-1-carboxylic acid;1-Thien-2-ylcyclopropanecarboxylic acid;1-(2-Thienyl)-cyclopropanecarboxylic acid;SCHEMBL2795442;DTXSID00597026;JZGVANXRGMMXGJ-UHFFFAOYSA-N;MFCD16622241;AKOS011792431;AB90405;AM90252;CS-W021264;1-(2-thienyl)cyclopropanecarboxylic acid;TS-02282;1-thiophen-2-ylcyclopropanecarboxylic acid;1-(Thiophen-2-yl)cyclopropanecarboxylicacid;1-thiophen-2-yl-cyclopropanecarboxylic acid;DB-345436;EN300-236552;W16703;A882763;F2189-0513;Z992250128

Chemical Property of 1-(Thiophen-2-yl)cyclopropanecarboxylic acid

Chemical Property:

• PSA: 65.54000
• LogP: 1.86430
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 168.02450067
• Heavy Atom Count: 11
• Complexity: 187

Purity/Quality:

97% ^*data from raw suppliers

1-(Thiophen-2-yl)cyclopropanecarboxylicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC1(C2=CC=CS2)C(=O)O
• Uses: 1-(Thiophen-2-yl)cyclopropanecarboxylic acid is a useful chemical for research as it has been used to study halogen bonding in protein-ligand interactions.

Technology Process of 1-(Thiophen-2-yl)cyclopropanecarboxylic acid

There total 5 articles about 1-(Thiophen-2-yl)cyclopropanecarboxylic 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: 85.0%

1-(thiophen-2-yl)cyclopropanecarbonitrile (162959-93-5) → 1-(thien-2-yl)cyclopropanecarboxylic acid (162959-94-6)

Guidance literature:

With water; lithium hydroxide; at 100 ℃; for 15h;

DOI:10.1021/jm9013696

Reference yield: 85.0%

→ 1-(thien-2-yl)cyclopropanecarboxylic acid (162959-94-6)

Guidance literature:

Reference yield:

C10H12O2S (950604-72-5) → 1-(thien-2-yl)cyclopropanecarboxylic acid (162959-94-6)

Guidance literature:

C₁₀H₁₂O₂S; With water; lithium hydroxide; In tetrahydrofuran; at 22 ℃; for 14h;

With water; sodium hydroxide; In tetrahydrofuran;

With hydrogenchloride; In water;

DOI:10.1002/anie.201006781

upstream raw materials:

1-(thiophen-2-yl)cyclopropanecarbonitrile

C₁₀H₁₂O₂S

ethyl thiophen-2-ylacetate

2-cyanomethylthiophene