2,3-Difluoro-4-methoxybenzyl bromide

Base Information

• Chemical Name: 2,3-Difluoro-4-methoxybenzyl bromide
• CAS No.: 689254-23-7
• Molecular Formula: C8H7BrF2O
• Molecular Weight: 237.044
• Hs Code.: 2909309090
• European Community (EC) Number: 679-171-4
• DSSTox Substance ID: DTXSID80407593
• Wikidata: Q82212901
• Mol file: 689254-23-7.mol

Synonyms:2,3-Difluoro-4-methoxybenzyl bromide;689254-23-7;1-(bromomethyl)-2,3-difluoro-4-methoxybenzene;Benzene, 1-(bromomethyl)-2,3-difluoro-4-methoxy-;2,3-DIFLUORO-4-METHOXYBENZYLBROMIDE;SCHEMBL1287466;DTXSID80407593;AMLNZEUOTXDYNB-UHFFFAOYSA-N;MFCD04115985;AKOS015956576;BS-42523;1-bromomethyl-2,3-difluoro-4-methoxy-benzene;1-methoxy-4-bromomethyl-2,3-difluoro-benzene;E76394;A854431

Chemical Property of 2,3-Difluoro-4-methoxybenzyl bromide

Chemical Property:

• PSA: 9.23000
• LogP: 2.86830
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 235.96483
• Heavy Atom Count: 12
• Complexity: 145

Purity/Quality:

98.5% ^*data from raw suppliers

2,3-Difluoro-4-methoxybenzyl bromide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C(=C(C=C1)CBr)F)F

Technology Process of 2,3-Difluoro-4-methoxybenzyl bromide

There total 2 articles about 2,3-Difluoro-4-methoxybenzyl bromide 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: 61.0%

2,3-difluoro-1-methoxy-4-methylbenzene (261763-32-0) → 1-(bromomethyl)-2,3-difluoro-4-methoxybenzene (689254-23-7)

Guidance literature:

With N-Bromosuccinimide; 2,2'-azobis(isobutyronitrile); In tetrachloromethane; for 3.5h; Heating / reflux;

Reference yield:

→ 1-(bromomethyl)-2,3-difluoro-4-methoxybenzene (689254-23-7)

Guidance literature:

Reference yield: 83.0%

1-(bromomethyl)-2,3-difluoro-4-methoxybenzene (689254-23-7) + (S)-4-chloro-N-(1-phenylpropyl)benzenesulfonamide (1372175-67-1) → (S)-4-chloro-N-(2,3-difluoro-4-methoxybenzyl)-N-(1-phenylpropyl)benzene-sulfonamide (1372175-24-0)

Guidance literature:

With caesium carbonate; In N,N-dimethyl-formamide; at 20 ℃; for 4h;

upstream raw materials:

2,3-difluoro-1-methoxy-4-methylbenzene

Downstream raw materials:

2-(2,3-difluoro-4-methoxy-benzyl)-3-oxo-butyric acid ethyl ester

(S)-4-chloro-N-(2,3-difluoro-4-methoxybenzyl)-N-(1-phenylpropyl)benzene-sulfonamide

tert-butyl 4-[1-(2,3-difluoro-4-methoxybenzyl)-2,4-dioxo-6-phenyl-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl]piperidine-1-carboxylate

4-(2,3-difluoro-4-methoxy-benzyl)-1-isopropyl-5-methyl-3-(6-O-methoxycarbonyl-β-D-glucopyranos-1-yloxy)-1H-pyrazole

Refernces

• 1、 -. "PHARMACEUTICAL COMPOSITION COMPRISING A PYRAZOLE-O-GLUCOSIDE DERIVATIVE". Page/Page column 50-51. . Retrieved 2008/12/07.
• 2、 -. "Sulfonamides". Page/Page column 57. . Retrieved 2010/02/15.