1-(3-Fluorophenyl)cyclobutanecarboxylic acid

Base Information

• Chemical Name: 1-(3-Fluorophenyl)cyclobutanecarboxylic acid
• CAS No.: 179411-84-8
• Molecular Formula: C₁₁H₁₁FO₂
• Molecular Weight: 194.206
• Hs Code.: 2916399090
• European Community (EC) Number: 837-945-0
• DSSTox Substance ID: DTXSID40585508
• Wikidata: Q82477484
• Mol file: 179411-84-8.mol

Synonyms:1-(3-fluorophenyl)cyclobutanecarboxylic acid;179411-84-8;1-(3-Fluorophenyl)cyclobutane-1-carboxylic acid;MFCD08444832;Cyclobutanecarboxylic acid, 1-(3-fluorophenyl)-;1-(3-Fluorophenyl)cyclobutanecarboxylicacid;SCHEMBL2535205;DTXSID40585508;AHZJCDUFTPVPFM-UHFFFAOYSA-N;AKOS009113706;AB45270;BS-13948;SY066048;1-(3-fluorophenyl)cylobutanecarboxylic acid;CS-0196872;EN300-28290;A924890;J-011447;Z228588628

Chemical Property of 1-(3-Fluorophenyl)cyclobutanecarboxylic acid

Chemical Property:

• PSA: 37.30000
• LogP: 2.33200
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 194.07430775
• Heavy Atom Count: 14
• Complexity: 235

Purity/Quality:

98%min ^*data from raw suppliers

1-(3-Fluorophenyl)cyclobutanecarboxylicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(C1)(C2=CC(=CC=C2)F)C(=O)O

Technology Process of 1-(3-Fluorophenyl)cyclobutanecarboxylic acid

There total 3 articles about 1-(3-Fluorophenyl)cyclobutanecarboxylic 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: 85.1%

→ 1-(3-Fluorophenyl)cyclobutanecarboxylic Acid (179411-84-8)

Guidance literature:

With potassium hydroxide; In ethanol; water; for 12h; Reflux;

Reference yield:

1-(3-fluorophenyl)cyclobutane-1-carbonitrile → 1-(3-Fluorophenyl)cyclobutanecarboxylic Acid (179411-84-8)

Guidance literature:

With potassium hydroxide; In water; ethylene glycol; at 100 ℃; for 24h;

DOI:10.1002/cjoc.202000240

Reference yield:

3-fluorophenylacetonitrile (501-00-8) → 1-(3-Fluorophenyl)cyclobutanecarboxylic Acid (179411-84-8)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium hydroxide / dimethyl sulfoxide / 12 h / 20 °C

2: potassium hydroxide / ethylene glycol; water / 24 h / 100 °C

With potassium hydroxide; In water; ethylene glycol; dimethyl sulfoxide;

DOI:10.1002/cjoc.202000240

upstream raw materials:

3-fluorophenylacetonitrile

Refernces

• 1、 Chen, Xiang,Chen, Lili,Zhao, Hongliang,Gao, Qian,Shen, Zhenlu,Xu, Senmiao. "Iridium-Catalyzed Enantioselective C(sp3)–H Borylation of Cyclobutanes". supporting information. p. 1533 - 1537. Retrieved 2020/09/09.