1-(2-Fluorophenyl)cyclopropane-1-carboxylic acid

Base Information

• Chemical Name: 1-(2-Fluorophenyl)cyclopropane-1-carboxylic acid
• CAS No.: 306298-00-0
• Molecular Formula: C₁₀H₉FO₂
• Molecular Weight: 180.179
• Hs Code.: 2916399090
• European Community (EC) Number: 803-495-9
• DSSTox Substance ID: DTXSID60390232
• Mol file: 306298-00-0.mol

Synonyms:306298-00-0;1-(2-fluorophenyl)cyclopropanecarboxylic acid;1-(2-fluorophenyl)cyclopropane-1-carboxylic acid;1-(2-Fluoro-phenyl)-cyclopropanecarboxylic acid;CYCLOPROPANECARBOXYLIC ACID, 1-(2-FLUOROPHENYL)-;MFCD07186439;SCHEMBL301133;DTXSID60390232;AKOS000265857;AB30581;CS-W017213;AS-46665;SY079491;BB 0217979;FT-0690613;EN300-80847;E10037;J-503016;Z825741286;1-(2-Fluorophenyl)cyclopropanecarboxylic acid, AldrichCPR

Chemical Property of 1-(2-Fluorophenyl)cyclopropane-1-carboxylic acid

Chemical Property:

• Vapor Pressure: 0.000243mmHg at 25°C
• Refractive Index: 1.584
• Boiling Point: 311.4 °C at 760 mmHg
• PKA: 3.97±0.20(Predicted)
• Flash Point: 142.1 °C
• PSA: 37.30000
• Density: 1.361 g/cm³
• LogP: 1.94190
• 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: 223

Purity/Quality:

97% ^*data from raw suppliers

1-(2-Fluorophenyl)cyclopropane-1-carboxylicacid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC1(C2=CC=CC=C2F)C(=O)O

Technology Process of 1-(2-Fluorophenyl)cyclopropane-1-carboxylic acid

There total 5 articles about 1-(2-Fluorophenyl)cyclopropane-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: 99.0%

2-fluorophenyl acetonitrile (326-62-5) + ethylene glycol (107-21-1) → 1-(2-fluorophenyl)cyclopropane-1-carboxylic acid (306298-00-0)

Guidance literature:

2-fluorophenyl acetonitrile; With sodium hydroxide; N-benzyl-N,N,N-triethylammonium chloride; water; 1-Bromo-2-chloroethane; at 45 ℃; for 21h;

ethylene glycol; at 100 ℃; for 7h;

With hydrogenchloride; In water; at 20 ℃; pH=2 - 3;

Reference yield: 96.0%

→ 1-(2-fluorophenyl)cyclopropane-1-carboxylic acid (306298-00-0)

Guidance literature:

With N-benzyl-N,N,N-triethylammonium chloride; water; sodium hydroxide; In ethylene glycol; at 100 ℃; for 18h;

Reference yield:

2-fluorophenyl acetonitrile (326-62-5) + 1-Bromo-2-chloroethane (107-04-0) → 1-(2-fluorophenyl)cyclopropane-1-carboxylic acid (306298-00-0)

Guidance literature:

With N-benzyl-N,N,N-triethylammonium chloride; sodium hydroxide; In water; ethylene glycol; at 100 ℃; for 18h;

DOI:10.1021/acs.jmedchem.1c00944

upstream raw materials:

2-fluorophenyl acetonitrile

ethylene glycol

1-(2-fluorophenyl)cyclopropanecarbonitrile

1-Bromo-2-chloroethane

Downstream raw materials:

C₂₇H₂₁F₂N₇O₂