4-Bromo-2,6-difluorobenzaldehyde

Base Information

• Chemical Name: 4-Bromo-2,6-difluorobenzaldehyde
• CAS No.: 537013-51-7
• Molecular Formula: C7H3BrF2O
• Molecular Weight: 221.001
• Hs Code.: 29130000
• European Community (EC) Number: 675-098-7
• DSSTox Substance ID: DTXSID50378342
• Wikidata: Q72454285
• Mol file: 537013-51-7.mol

Synonyms:4-Bromo-2,6-difluorobenzaldehyde;537013-51-7;4-bromo-2,6-difluorobenzylaldehyde;4-bromo-2,6-difluoro-benzaldehyde;Benzaldehyde, 4-bromo-2,6-difluoro-;MFCD03094459;2,6-Difluoro-4-bromobenzaldehyde;SCHEMBL578367;DTXSID50378342;4-Bromo 2,6-difluorobenzaldehyde;CZGVAISJIQNQEJ-UHFFFAOYSA-N;BBL103100;STL556910;AKOS015890078;AC-2290;AM62022;CS-W009150;GS-3802;SB37561;4-Bromo-2,6-difluorobenzaldehyde, 96%;SY036868;A7812;B3446;FT-0650533;EN300-197815;J-514611;N-Methyl-4-phenyl-1H-pyrazol-3-amine hydrochloride;Z1269231805

Chemical Property of 4-Bromo-2,6-difluorobenzaldehyde

Chemical Property:

• Vapor Pressure: 0.063mmHg at 25°C
• Melting Point: 76-79 °C
• Refractive Index: 1.561
• Boiling Point: 231.381 °C at 760 mmHg
• Flash Point: 93.736 °C
• PSA: 17.07000
• Density: 1.758 g/cm³
• LogP: 2.53980
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• Sensitive.: Air Sensitive
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 219.93353
• Heavy Atom Count: 11
• Complexity: 141

Purity/Quality:

98% ^*data from raw suppliers

4-Bromo-2,6-difluorobenzaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,T
• Statements: 25
• Safety Statements: 45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C(=C1F)C=O)F)Br
• Uses: 4-Bromo-2,6-difluorobenzaldehyde can be used as organic synthesis and pharmaceutical intermediates, mainly in laboratory research and development, chemical and pharmaceutical production processes.

Technology Process of 4-Bromo-2,6-difluorobenzaldehyde

There total 7 articles about 4-Bromo-2,6-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: 89.0%

3,5-difluorobromobenzene (461-96-1) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → 4-bromo-2,6-difluorobenzaldehyde (537013-51-7)

Guidance literature:

3,5-difluorobromobenzene; With lithium diisopropyl amide; In tetrahydrofuran; diethyl ether; at -80 ℃; for 0.75h;

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

With sulfuric acid; In tetrahydrofuran; diethyl ether; water; at -50 ℃;

DOI:10.1002/ejoc.201601328

Reference yield: 84.0%

(4-bromo-2,6-difluoro-phenyl)methanol (162744-59-4) → 4-bromo-2,6-difluorobenzaldehyde (537013-51-7)

Guidance literature:

With pyridine-SO₃ complex; dimethyl sulfoxide; triethylamine; In dichloromethane; at 20 ℃; for 3h;

Reference yield: 78.0%

N-Formylpiperidine (2591-86-8) + 3,5-difluorobromobenzene (461-96-1) → 4-bromo-2,6-difluorobenzaldehyde (537013-51-7)

Guidance literature:

3,5-difluorobromobenzene; With lithium diisopropyl amide; In tetrahydrofuran; at -70 ℃; for 0.5h;

N-Formylpiperidine; at -70 - 0 ℃;

upstream raw materials:

(4-bromo-2,6-difluoro-phenyl)methanol

3,5-difluorobromobenzene

N,N-dimethyl-formamide

N-Formylpiperidine

Downstream raw materials:

1-(4-bromo-2,6-difluorobenzyl)pyrrolidine

(4-bromo-2,6-difluoro-benzyl)-(3-methyl-butyl)-amine

4-bromo-2-fluoro-6-methoxy-benzaldehyde

C₁₅H₁₃BrFN