2-(Bromomethyl)-1,4-difluorobenzene

Base Information

• Chemical Name: 2-(Bromomethyl)-1,4-difluorobenzene
• CAS No.: 85117-99-3
• Molecular Formula: C7H5BrF2
• Molecular Weight: 207.018
• Hs Code.: 29039990
• European Community (EC) Number: 285-651-0
• DSSTox Substance ID: DTXSID50234237
• Nikkaji Number: J236.280E
• Wikidata: Q72462672
• Mol file: 85117-99-3.mol

Synonyms:2,5-Difluorobenzyl bromide;85117-99-3;2-(Bromomethyl)-1,4-difluorobenzene;2,5-difluorobenzylbromide;alpha-Bromo-2,5-difluorotoluene;Benzene, 2-(bromomethyl)-1,4-difluoro-;EINECS 285-651-0;MFCD00009897;2,5-difluoro-benzylbromide;a-bromo-2,5-difluorotoluene;SCHEMBL119218;ONWGSWNHQZYCFK-UHFFFAOYSA-;DTXSID50234237;2-bromomethyl-1,4-difluorobenzene;2,5-Difluorobenzyl bromide, 98%;1-bromomethyl-2,5-difluoro-benzene;2-bromomethyl-1,4-difluoro-benzene;AC-337;AKOS005259229;AM62159;JS-4100;2-(Bromomethyl)-1,4-difluorobenzene #;D2597;FT-0610355;FT-0658164;EN300-102561;W-104093;F2190-0298

Chemical Property of 2-(Bromomethyl)-1,4-difluorobenzene

Chemical Property:

• Appearance/Colour: Clear yellow liquid
• Vapor Pressure: 0.849mmHg at 25°C
• Melting Point: 8ºC
• Refractive Index: n20/D 1.526(lit.)
• Boiling Point: 187.9 °C at 760 mmHg
• Flash Point: 15.6 °C
• PSA: 0.00000
• Density: 1.625 g/cm³
• LogP: 2.85970
• Storage Temp.: Flammables area
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 205.95427
• Heavy Atom Count: 10
• Complexity: 108

Purity/Quality:

99% ^*data from raw suppliers

2,5-Difluorobenzyl Bromide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F, C, Xi
• Hazard Codes: F,C,Xi
• Statements: 11-34-22-36
• Safety Statements: 26-36/37/39-45-16

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1F)CBr)F
• Uses: 2,5-Difluorobenzyl bromide has been used in the synthesis of:novel series of 4-aryl, 4-phenylsulfonyl cyclohexananone-derived γ-secretase inhibitors, for the potential treatment of Alzheimer′s diseasesulfonamide, amide and acyclic amine derivatives

Technology Process of 2-(Bromomethyl)-1,4-difluorobenzene

There total 3 articles about 2-(Bromomethyl)-1,4-difluorobenzene 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: 50.0%

2,5-difluoro-benzyl alcohol (75853-20-2) → 2-(bromomethyl)-1,4-difluorobenzene (85117-99-3)

Guidance literature:

With phosphorus tribromide; In dichloromethane; at 20 ℃; for 16h;

Reference yield:

1,4-difluoro-2-methylbenzene (452-67-5) → 2-(bromomethyl)-1,4-difluorobenzene (85117-99-3)

Guidance literature:

With N-Bromosuccinimide;

DOI:10.1021/jm00400a019

Reference yield:

→ 2-(bromomethyl)-1,4-difluorobenzene (85117-99-3)

Guidance literature:

upstream raw materials:

1,4-difluoro-2-methylbenzene

2,5-difluoro-benzyl alcohol

Downstream raw materials:

6-chloro-9-(2,5-difluorobenzyl)-9H-purine

methyl-1-(phenoxycarbonyl)-4-(2,5-difluorobenzyl)-1,4-dihydronicotinate

8-cyano-1-(2,5-difluoro-benzyl)-7-(4-isobutoxy-phenyl)-6-methyl-4-oxo-1,4-dihydro-pyrrolo[1,2-a]pyrimidine-3-carboxylic acid ethyl ester

(2R,5S)-2,5-dihydro-3,6-dimethoxy-2-[(2',5'-difluorophenyl)methyl]-5-isopropylpyrazine