4-CYANO-2,6-DIFLUOROBENZOIC ACID

Base Information

• Chemical Name: 4-CYANO-2,6-DIFLUOROBENZOIC ACID
• CAS No.: 181073-82-5
• Molecular Formula: C8H3F2NO2
• Molecular Weight: 183.114
• Hs Code.: 2926909090
• Mol file: 181073-82-5.mol

Synonyms:4-Cyano-2,6-difluorobenzoicacid;

Chemical Property of 4-CYANO-2,6-DIFLUOROBENZOIC ACID

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.54
• Boiling Point: 303.895 °C at 760 mmHg
• PKA: 1.68±0.10(Predicted)
• Flash Point: 137.591 °C
• PSA: 61.09000
• Density: 1.518 g/cm³
• LogP: 1.53468
• Storage Temp.: Sealed in dry,Room Temperature

Purity/Quality:

97% ^*data from raw suppliers

4-cyano-2,6-difluorobenzoicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 4-CYANO-2,6-DIFLUOROBENZOIC ACID

There total 3 articles about 4-CYANO-2,6-DIFLUOROBENZOIC 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: 91.32%

3,5-difluoro-4-formylbenzonitrile (467442-15-5) → 4-cyano-2,6-difluorobenzoic acid (181073-82-5)

Guidance literature:

With sodium chlorite; potassium dihydrogenphosphate; aminosulfonic acid; In water; dimethyl sulfoxide; at 20 ℃; for 1h;

Reference yield: 65.3%

carbon dioxide (124-38-9,18923-20-1) + 3,5-difluorobenzonitrile (64248-63-1) → 4-cyano-2,6-difluorobenzoic acid (181073-82-5)

Guidance literature:

3,5-difluorobenzonitrile; With n-butyllithium; In tetrahydrofuran; hexane; at -78 ℃; for 0.75h;

carbon dioxide; In tetrahydrofuran; hexane; for 0.416667h; Cooling with ice;

Reference yield:

3,5-difluorobenzonitrile (64248-63-1) → 4-cyano-2,6-difluorobenzoic acid (181073-82-5)

Guidance literature:

Multi-step reaction with 2 steps

1.1: lithium diisopropyl amide / tetrahydrofuran / 1 h / -78 °C

1.2: 0.75 h

2.1: aminosulfonic acid; potassium dihydrogenphosphate; sodium chlorite / water; dimethyl sulfoxide / 1 h / 20 °C

With sodium chlorite; potassium dihydrogenphosphate; aminosulfonic acid; lithium diisopropyl amide; In tetrahydrofuran; water; dimethyl sulfoxide;

upstream raw materials:

carbon dioxide

3,5-difluorobenzonitrile

3,5-difluoro-4-formylbenzonitrile

Downstream raw materials:

4-[(4-{3-cyano-2-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propyl}piperazin-1-yl)carbonyl]-3,5-difluorobenzonitrile

4-[(4-{3-cyano-2-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propyl}piperazin-1-yl)carbonyl]-3,5-difluorobenzonitrile phosphate

4-aminomethyl-2,6-difluorobenzoic acid

4-(tert-butoxycarbonylaminomethyl)-2,6-difluorobenzoic acid

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