1-(Thiophen-2-yl)cyclohexane-1-carboxylic acid

Base Information

• Chemical Name: 1-(Thiophen-2-yl)cyclohexane-1-carboxylic acid
• CAS No.: 100058-72-8
• Molecular Formula: C11H14O2S
• Molecular Weight: 210.29
• Hs Code.: 2934999090
• European Community (EC) Number: 842-001-6
• DSSTox Substance ID: DTXSID80356234
• Wikidata: Q82135481
• Mol file: 100058-72-8.mol

Synonyms:100058-72-8;1-(thiophen-2-yl)cyclohexane-1-carboxylic acid;1-(Thiophen-2-yl)cyclohexanecarboxylic acid;1-thiophen-2-ylcyclohexane-1-carboxylic acid;F2189-0460;SCHEMBL17761271;DTXSID80356234;AKOS011792254;AB91163;1-(Thiophen-2-yl)cyclohexanecarboxylicacid;EN300-82008;Z992250122

Chemical Property of 1-(Thiophen-2-yl)cyclohexane-1-carboxylic acid

Chemical Property:

• PSA: 65.54000
• LogP: 3.03460
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 210.07145086
• Heavy Atom Count: 14
• Complexity: 221

Purity/Quality:

NLT 98% ^*data from raw suppliers

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(CC1)(C2=CC=CS2)C(=O)O

Technology Process of 1-(Thiophen-2-yl)cyclohexane-1-carboxylic acid

There total 4 articles about 1-(Thiophen-2-yl)cyclohexane-1-carboxylic 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:

1-(thiophen-2-yl)cyclohexanecarbonitrile (99856-75-4) → 1-(thiophen-2-yl)cyclohexanecarboxylic acid (100058-72-8)

Guidance literature:

With hydrogen bromide; acetic acid;

DOI:10.1021/ja01173a044

Reference yield:

1,5-dibromo-pentane (111-24-0) → 1-(thiophen-2-yl)cyclohexanecarboxylic acid (100058-72-8)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium amide; liquid ammonia; diethyl ether / -50 °C / Erhitzen des vom Ammoniak befreiten, mit Toluol versetzten Reaktionsgemisches

2: aqueous hydrobromic acid; acetic acid

With diethyl ether; ammonia; hydrogen bromide; sodium amide; acetic acid;

DOI:10.1021/ja01173a044

Reference yield:

2-cyanomethylthiophene (20893-30-5) → 1-(thiophen-2-yl)cyclohexanecarboxylic acid (100058-72-8)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium amide; liquid ammonia; diethyl ether / -50 °C / Erhitzen des vom Ammoniak befreiten, mit Toluol versetzten Reaktionsgemisches

2: aqueous hydrobromic acid; acetic acid

With diethyl ether; ammonia; hydrogen bromide; sodium amide; acetic acid;

DOI:10.1021/ja01173a044

upstream raw materials:

1-(thiophen-2-yl)cyclohexanecarbonitrile

2-cyanomethylthiophene

1,5-dibromo-pentane

Downstream raw materials:

1-Thien-2-yl-cyclohexan-1-carbonsaeureamid

Refernces

• 1、 Shao, Liming,Hewitt, Michael C.,Wang, Fengjiang,Malcolm, Scott C.,Ma, Jianguo,Campbell, John E.,Campbell, Una C.,Engel, Sharon R.,Spicer, Nancy A.,Hardy, Larry W.,Schreiber, Rudy,Spear, Kerry L.,Varney, Mark A.. "Discovery of N-methyl-1-(1-phenylcyclohexyl)methanamine, a novel triple serotonin, norepinephrine, and dopamine reuptake inhibitor". scheme or table. p. 1438 - 1441. Retrieved 2011/04/16.