1-(2,6-Difluorophenyl)cyclopropanecarboxylic acid

Base Information

• Chemical Name: 1-(2,6-Difluorophenyl)cyclopropanecarboxylic acid
• CAS No.: 139229-58-6
• Molecular Formula: C10H8F2O2
• Molecular Weight: 198.169
• European Community (EC) Number: 871-695-3
• Mol file: 139229-58-6.mol

Synonyms:1-(2,6-Difluorophenyl)cyclopropanecarboxylic acid;139229-58-6;1-(2,6-difluorophenyl)cyclopropane-1-carboxylic acid;Cyclopropanecarboxylic acid, 1-(2,6-difluorophenyl)-;MFCD11041476;SCHEMBL9314481;QRGUMJCPHNBRHI-UHFFFAOYSA-N;AC4133;AKOS006309692;SY226071;TS-02800;2,6-difluorophenylcyclopropanecarboxylic acid;CS-0445895;EN300-120371;A927058;1-(2,6-difluorophenyl )-cyclopropanecarboxylic acid;1-(2,6-difluorophenyl)-cyclopropanecarboxylic acid;Z1198305972

Chemical Property of 1-(2,6-Difluorophenyl)cyclopropanecarboxylic acid

Chemical Property:

• Boiling Point: 305.2±42.0 °C(Predicted)
• PKA: 3?+-.0.20(Predicted)
• PSA: 37.30000
• Density: 1.451±0.06 g/cm3(Predicted)
• LogP: 2.08100
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 198.04923582
• Heavy Atom Count: 14
• Complexity: 241

Purity/Quality:

97% ^*data from raw suppliers

1-(2,6-difluorophenyl)cyclopropanecarboxylicacid 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 1-(2,6-Difluorophenyl)cyclopropanecarboxylic acid

There total 3 articles about 1-(2,6-Difluorophenyl)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: 93.0%

→ 1-(2,6-difluorophenyl)cyclopropane-1-carboxylic acid (139229-58-6)

Guidance literature:

With water; potassium hydroxide; In ethanol; for 24h; Reflux;

Reference yield: 89.0%

1-(2,6-difluorophenyl)cyclopropane-1-carbonitrile (124276-65-9) → 1-(2,6-difluorophenyl)cyclopropane-1-carboxylic acid (139229-58-6)

Guidance literature:

With sulfuric acid; In (2S)-N-methyl-1-phenylpropan-2-amine hydrate;

Reference yield:

(2,6-difluorophenyl)acetonitrile (654-01-3) → 1-(2,6-difluorophenyl)cyclopropane-1-carboxylic acid (139229-58-6)

Guidance literature:

Multi-step reaction with 2 steps

1.1: N-benzyl-N,N,N-triethylammonium chloride; sodium hydroxide / water / 50 °C

2.1: lithium hydroxide / water / 100 °C

2.2: pH 1

With N-benzyl-N,N,N-triethylammonium chloride; sodium hydroxide; lithium hydroxide; In water;

DOI:10.1021/ja207607s

upstream raw materials:

1-(2,6-difluorophenyl)cyclopropane-1-carbonitrile

(2,6-difluorophenyl)acetonitrile

Downstream raw materials:

N-(4-cyano-2,3,5,6-tetrafluorophenyl)-1-(2,6-difluorophenyl)cyclopropanecarboxamide

C₁₀H₁₁F₂N*ClH

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