2-Bromo-1-fluoro-4-(methoxymethyl)benzene

Base Information

• Chemical Name: 2-Bromo-1-fluoro-4-(methoxymethyl)benzene
• CAS No.: 887268-22-6
• Molecular Formula: C8H8BrFO
• Molecular Weight: 219.053
• Hs Code.: 2903998090
• DSSTox Substance ID: DTXSID40377723
• Wikidata: Q82167047
• Mol file: 887268-22-6.mol

Synonyms:2-bromo-1-fluoro-4-(methoxymethyl)benzene;887268-22-6;SCHEMBL1369367;DTXSID40377723;QBVRUQXKXJMOGC-UHFFFAOYSA-N;AMY23966;MFCD04116324;AKOS010793533;2-Bromo-4-(methoxymethyl)fluorobenzene;DS-5531;CS-0150198;N10448;A861534

Chemical Property of 2-Bromo-1-fluoro-4-(methoxymethyl)benzene

Chemical Property:

• PSA: 9.23000
• LogP: 2.73460
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 217.97426
• Heavy Atom Count: 11
• Complexity: 121

Purity/Quality:

99% ^*data from raw suppliers

2-Bromo-4-(methoxymethyl)fluorobenzene 95.0% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COCC1=CC(=C(C=C1)F)Br

Technology Process of 2-Bromo-1-fluoro-4-(methoxymethyl)benzene

There total 3 articles about 2-Bromo-1-fluoro-4-(methoxymethyl)benzene 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: 84.0%

3-bromo-4-fluoro-benzyl alcohol (77771-03-0) + methyl iodide (74-88-4) → 2-bromo-1-fluoro-4-(methoxymethyl)benzene (887268-22-6)

Guidance literature:

3-bromo-4-fluoro-benzyl alcohol; With sodium hydride; In N,N-dimethyl-formamide; mineral oil; at 0 ℃; for 0.5h;

methyl iodide; In N,N-dimethyl-formamide; mineral oil; at 0 - 20 ℃; for 1h;

Reference yield: 51.0%

methanol (67-56-1) + 3-bromo-4-fluorobenzyl metanesulfonate (866862-23-9) → 2-bromo-1-fluoro-4-(methoxymethyl)benzene (887268-22-6)

Guidance literature:

With 2,6-dimethylpyridine; at 20 ℃; for 88h;

DOI:10.1021/jm200866y

Reference yield:

3-bromo-4-fluoro-benzyl alcohol (77771-03-0) → 2-bromo-1-fluoro-4-(methoxymethyl)benzene (887268-22-6)

Guidance literature:

Multi-step reaction with 2 steps

1: triethylamine / dichloromethane / -20 - 20 °C

2: 2,6-dimethylpyridine / 88 h / 20 °C

With 2,6-dimethylpyridine; triethylamine; In dichloromethane;

DOI:10.1021/jm200866y

upstream raw materials:

3-bromo-4-fluoro-benzyl alcohol

methyl iodide

methanol

3-bromo-4-fluorobenzyl metanesulfonate

Refernces

• 1、 Crosignani, Stefano,Prêtre, Adeline,Jorand-Lebrun, Catherine,Fraboulet, Ga?le,Seenisamy, Jeyaprakashnarayanan,Augustine, John Kallikat,Missotten, Marc,Humbert, Yves,Cleva, Christophe,Abla, Nada,Daff, Hamina,Schott, Olivier,Schneider, Manfred,Burgat-Charvillon, Fabienne,Rivron, Delphine,Hamernig, Ingrid,Arrighi, Jean-Fran?ois,Gaudet, Marilène,Zimmerli, Simone C.,Juillard, Pierre,Johnson, Zoe. "Discovery of potent, selective, and orally bioavailable alkynylphenoxyacetic acid CRTH2 (DP2) receptor antagonists for the treatment of allergic inflammatory diseases". supporting information; experimental part. p. 7299 - 7317. Retrieved 2011/12/15.
• 2、 -. "Pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists". Page/Page column 20. . Retrieved 2008/06/13.