2-CHLORO-3,6-DIFLUOROBENZALDEHYDE

Base Information

• Chemical Name: 2-CHLORO-3,6-DIFLUOROBENZALDEHYDE
• CAS No.: 261762-39-4
• Molecular Formula: C7H3ClF2O
• Molecular Weight: 176.55
• Hs Code.: 29130000
• European Community (EC) Number: 625-803-9
• DSSTox Substance ID: DTXSID90378508
• Nikkaji Number: J2.725.058K
• Wikidata: Q72518302
• Mol file: 261762-39-4.mol

Synonyms:2-Chloro-3,6-difluorobenzaldehyde;

Chemical Property of 2-CHLORO-3,6-DIFLUOROBENZALDEHYDE

Chemical Property:

• Vapor Pressure: 0.238mmHg at 25°C
• Melting Point: 46-50 °C(lit.)
• Refractive Index: 1.536
• Boiling Point: 206.4 °C at 760 mmHg
• Flash Point: 78.6 °C
• PSA: 17.07000
• Density: 1.453 g/cm³
• LogP: 2.43070
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Sensitive.: Air Sensitive
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 175.9840487
• Heavy Atom Count: 11
• Complexity: 153

Purity/Quality:

98%,99%, ^*data from raw suppliers

2-Chloro-3,6-difluorobenzaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C(=C1F)C=O)Cl)F

Technology Process of 2-CHLORO-3,6-DIFLUOROBENZALDEHYDE

There total 1 articles about 2-CHLORO-3,6-DIFLUOROBENZALDEHYDE 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: 71.0%

1-chloro-2,5-difluorobenzene (2367-91-1) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → 2-chloro-3,6-difluorobenzaldehyde (261762-39-4)

Guidance literature:

1-chloro-2,5-difluorobenzene; With lithium diisopropyl amide; In tetrahydrofuran; at -78 ℃; for 0.5h;

N,N-dimethyl-formamide; In tetrahydrofuran; at -78 ℃; for 0.25h;

Reference yield: 98.0%

2-chloro-3,6-difluorobenzaldehyde (261762-39-4) + methylmagnesium bromide (75-16-1) → 1-(2-chloro-3,6-difluorophenyl)ethan-1-ol (756520-68-0)

Guidance literature:

In tetrahydrofuran; at 0 - 20 ℃; Inert atmosphere;

Reference yield: 96.0%

2-chloro-3,6-difluorobenzaldehyde (261762-39-4) → 2-chloro-3,6-difluoro-benzaldehyde oxime (890133-16-1)

Guidance literature:

With hydroxylamine hydrochloride; tetrabutyl-ammonium chloride; sodium hydrogencarbonate; In water; acetonitrile; at 20 ℃; for 1h;

DOI:10.1016/j.bmcl.2010.08.087

upstream raw materials:

1-chloro-2,5-difluorobenzene

N,N-dimethyl-formamide

Downstream raw materials:

2-chloro-3,6-difluoro-benzaldehyde oxime

1-(2-chloro-3,6-difluorophenyl)ethan-1-ol

1-(1H-benzo[d]imidazol-6-yl)-5-(2-chloro-3,6-difluorophenyl)-3-hydroxy-4-methyl-1H-pyrrol-2(5H)-one

C₁₅H₁₃F₂N

Refernces

• 1、 -. "(Aza)pyridopyrazolopyrimidinones and indazolopyrimidinones and their use". Paragraph 0803 - 0806. . Retrieved 2015/05/13.