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

Base Information

• Chemical Name: 1-Bromo-4-fluoro-2-(methoxymethyl)benzene
• CAS No.: 842167-67-3
• Molecular Formula: C8H8BrFO
• Molecular Weight: 219.053
• Hs Code.: 2909309090
• European Community (EC) Number: 871-272-3
• DSSTox Substance ID: DTXSID20377721
• Wikidata: Q82167045
• Mol file: 842167-67-3.mol

Synonyms:1-bromo-4-fluoro-2-(methoxymethyl)benzene;842167-67-3;1-bromo-4-fluoro-2-(methoxymethyl) benzene;SCHEMBL1723567;DTXSID20377721;MFCD04116323;4-fluoro-2-(methoxymethyl)bromobenzene;AM87229;CS-0244744;2-Bromo-5-fluorobenzyl alcohol, methyl ether;N11817;EN300-2913598;A1-59899

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

Chemical Property:

• Vapor Pressure: 0.332mmHg at 25°C
• PSA: 9.23000
• LogP: 2.73460
• 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:

97% ^*data from raw suppliers

1-Bromo-4-fluoro-2-(methoxymethyl)benzene 95% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

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

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

There total 2 articles about 1-Bromo-4-fluoro-2-(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: 100.0%

2-bromo-5-fluorobenzyl alcohol (202865-66-5) + methyl iodide (74-88-4) → 1-bromo-4-fluoro-2-(methoxymethyl)benzene (842167-67-3)

Guidance literature:

With sodium hydride; In tetrahydrofuran; at 0 - 20 ℃;

DOI:10.1021/jo048860b

Reference yield:

2-bromo-5-fluorobenzaldehyde (94569-84-3) → 1-bromo-4-fluoro-2-(methoxymethyl)benzene (842167-67-3)

Guidance literature:

Multi-step reaction with 2 steps

1: 99 percent / DIBAL / tetrahydrofuran; hexane / 2.5 h / 0 °C

2: 100 percent / NaH / tetrahydrofuran / 0 - 20 °C

With sodium hydride; diisobutylaluminium hydride; In tetrahydrofuran; hexane;

DOI:10.1021/jo048860b

Reference yield: 86.0%

N,N-dimethyl-formamide (68-12-2,33513-42-7) + 1-bromo-4-fluoro-2-(methoxymethyl)benzene (842167-67-3) → 4-fluoro-2-(methoxymethyl)benzaldehyde (842167-68-4)

Guidance literature:

With n-butyllithium; In tetrahydrofuran; hexane; at -78 - 20 ℃;

DOI:10.1021/jo048860b

upstream raw materials:

2-bromo-5-fluorobenzyl alcohol

methyl iodide

2-bromo-5-fluorobenzaldehyde

Downstream raw materials:

4-fluoro-2-(methoxymethyl)benzaldehyde

1-(2,2-dibromovinyl)-4-fluoro-2-(methoxymethyl)benzene

2-(3-butenyl)-1-ethynyl-4-fluorobenzene

{2-[4-fluoro-2-(methoxymethyl)phenyl]ethynyl}trimethylsilane