1-(4-Fluorophenyl)cyclopropanecarboxylic acid

Base Information

• Chemical Name: 1-(4-Fluorophenyl)cyclopropanecarboxylic acid
• CAS No.: 773100-29-1
• Molecular Formula: C₁₀H₉FO₂
• Molecular Weight: 180.179
• Hs Code.: 2917399590
• European Community (EC) Number: 813-570-8
• DSSTox Substance ID: DTXSID20424421
• Wikidata: Q82236993
• Mol file: 773100-29-1.mol

Synonyms:1-(4-fluorophenyl)cyclopropanecarboxylic acid;773100-29-1;1-(4-fluorophenyl)cyclopropane-1-carboxylic acid;1-(4-Fluoro-phenyl)-cyclopropanecarboxylic acid;CYCLOPROPANECARBOXYLIC ACID, 1-(4-FLUOROPHENYL)-;MFCD06208777;1-(4-Fluorophenyl)cyclopropanecarboxylicacid;SCHEMBL301150;DTXSID20424421;NGVPHOXWSFIYNV-UHFFFAOYSA-N;AKOS000265642;AB23276;CS-W018962;AC-23534;SY013369;TS-02515;AM20041154;BB 0217977;FT-0647268;EN300-30404;A865298;1-(4-FLUORO-PHENYL)-CYCLOPROPANECARBOXYLICACID;F2189-0514;Z228588556

Chemical Property of 1-(4-Fluorophenyl)cyclopropanecarboxylic acid

Chemical Property:

• Vapor Pressure: 0.000409mmHg at 25°C
• Refractive Index: 1.584
• Boiling Point: 303.5°C at 760 mmHg
• PKA: 4.24±0.20(Predicted)
• Flash Point: 137.3°C
• Density: 1.361g/cm³
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 180.05865769
• Heavy Atom Count: 13
• Complexity: 215

Purity/Quality:

99%, ^*data from raw suppliers

1-(4-Fluorophenyl)cyclopropanecarboxylicacid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 41
• Safety Statements: 26-39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC1(C2=CC=C(C=C2)F)C(=O)O
• Uses: 1-(4-Fluorophenyl)cyclopropanecarboxylic acid

Technology Process of 1-(4-Fluorophenyl)cyclopropanecarboxylic acid

There total 1 articles about 1-(4-Fluorophenyl)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: 98.0%

→ 1-(4-fluorophenyl)cyclopropane-1-carboxylic acid (773100-29-1)

Guidance literature:

Reference yield:

1-(4-fluorophenyl)cyclopropane-1-carboxylic acid (773100-29-1) → C14H19FOSi + C14H19FOSi

Guidance literature:

Multi-step reaction with 3 steps

1: lithium aluminium tetrahydride / tetrahydrofuran / 2 h / 0 - 20 °C

2: tris(triphenylphosphine)ruthenium(II) chloride / benzene / 12 h / 50 °C / Inert atmosphere; Glovebox

3: chloro(1,5-cyclooctadiene)rhodium(I) dimer; (S)-DTBM-SEGPHOS / tetrahydrofuran; cyclohexene / 24 h / 50 °C / Inert atmosphere; Glovebox

With lithium aluminium tetrahydride; chloro(1,5-cyclooctadiene)rhodium(I) dimer; tris(triphenylphosphine)ruthenium(II) chloride; (S)-DTBM-SEGPHOS; In tetrahydrofuran; cyclohexene; benzene;

DOI:10.1002/anie.201603153

Reference yield:

1-(4-fluorophenyl)cyclopropane-1-carboxylic acid (773100-29-1) + 2-methyl-4-(4-methylpiperidin-4-yl)-1-[1-(4-trifluoromethylphenyl)ethyl]piperazine (544704-12-3) → C30H37F4N3O

Guidance literature:

With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine;

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