1-(Bromomethyl)-2,3-dimethoxybenzene

Base Information

• Chemical Name: 1-(Bromomethyl)-2,3-dimethoxybenzene
• CAS No.: 54636-77-0
• Molecular Formula: C9H11 Br O2
• Molecular Weight: 231.089
• Hs Code.: 2909309090
• DSSTox Substance ID: DTXSID00444061
• Nikkaji Number: J707.751C
• Wikidata: Q82262068
• Mol file: 54636-77-0.mol

Synonyms:1-(BROMOMETHYL)-2,3-DIMETHOXYBENZENE;54636-77-0;2,3-dimethoxybenzyl bromide;2, 3 dimethoxybenzylbromide;SCHEMBL216572;DTXSID00444061;MKQQWYFVXVSJTH-UHFFFAOYSA-N;AKOS009306993;FT-0749859;EN300-1262455

Chemical Property of 1-(Bromomethyl)-2,3-dimethoxybenzene

Chemical Property:

• Melting Point: 27-29 °C
• Boiling Point: 140-142 °C(Press: 11.0 Torr)
• PSA: 18.46000
• Density: 1.384±0.06 g/cm3(Predicted)
• LogP: 2.59870
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 229.99424
• Heavy Atom Count: 12
• Complexity: 130

Purity/Quality:

99% ^*data from raw suppliers

1-(Bromomethyl)-2,3-dimethoxybenzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=CC(=C1OC)CBr

Technology Process of 1-(Bromomethyl)-2,3-dimethoxybenzene

There total 3 articles about 1-(Bromomethyl)-2,3-dimethoxybenzene 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: 98.0%

2,3-dimethoxybenzyl alcohol (5653-67-8) → 2,3-dimethoxybenzyl bromide (54636-77-0)

Guidance literature:

With phosphorus tribromide; In diethyl ether; for 2.5h; Ambient temperature;

DOI:10.1002/jps.2600720719

Reference yield:

2,3-dimethyoxybenzaldehyde (86-51-1) → 2,3-dimethoxybenzyl bromide (54636-77-0)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium tetrahydroborate / dichloromethane / 0.5 h / 20 °C

2: phosphorus tribromide / dichloromethane / 0.5 h / 0 °C

With sodium tetrahydroborate; phosphorus tribromide; In dichloromethane;

DOI:10.1016/j.ejmech.2012.07.010

Reference yield:

→ 2,3-dimethoxybenzyl bromide (54636-77-0)

Guidance literature:

upstream raw materials:

2,3-dimethoxybenzyl alcohol

2,3-dimethyoxybenzaldehyde

Downstream raw materials:

1,3-bis(2,3-dimethoxyphenyl)propyne

1,2-bis(2,3-dimethoxyphenyl)ethane

5-[2-(2,3-dimethoxyphenyl)ethyl]-5'-methyl-2,2'-bipyridine

7-[3-(benzylideneamino)methyl-4-(2',3'-dimethxoybenzyloxyimino)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-1,8-naphthyridine-3-carboxylic acid

Refernces

• 1、 -. "MLKL INHIBITORS". Paragraph 0361-0362. . Retrieved 2018/09/26.
• 2、 -. "4-oxo-alkylated tetramic acid compounds and preparation method thereof". Paragraph 0072; 0073. . Retrieved 2017/12/09.