2-Bromo-4,5-dimethoxybenzyl bromide

Base Information

• Chemical Name: 2-Bromo-4,5-dimethoxybenzyl bromide
• CAS No.: 53207-00-4
• Molecular Formula: C9H10Br2O2
• Molecular Weight: 309.985
• Hs Code.: 2909309090
• European Community (EC) Number: 610-978-6
• DSSTox Substance ID: DTXSID10452773
• Nikkaji Number: J32.099D
• Wikidata: Q82273595
• Mol file: 53207-00-4.mol

Synonyms:2-bromo-4,5-dimethoxybenzyl bromide;53207-00-4;1-bromo-2-(bromomethyl)-4,5-dimethoxybenzene;1-bromo-2-bromomethyl-4,5-dimethoxy-benzene;Benzene, 1-bromo-2-(bromomethyl)-4,5-dimethoxy-;MFCD02727713;SCHEMBL2294326;DTXSID10452773;PAJNRELOTRXFAQ-UHFFFAOYSA-N;AKOS010149124;AS-18930;1-Bromo-2-bromomethyl-4,5-dimethoxybenzene;CS-0199525;FT-0658658;1-bromanyl-2-(bromomethyl)-4,5-dimethoxy-benzene;A829443;1-Bromo-2-(bromomethyl)-4,5-dimethoxybenzene, AldrichCPR

Chemical Property of 2-Bromo-4,5-dimethoxybenzyl bromide

Chemical Property:

• Vapor Pressure: 0.001mmHg at 25°C
• Melting Point: 84.0-85.5 °C
• Refractive Index: 1.568
• Boiling Point: 320.637 °C at 760 mmHg
• Flash Point: 129.614 °C
• PSA: 18.46000
• Density: 1.693g/cm³
• LogP: 3.36120
• Storage Temp.: 2-8°C
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 309.90271
• Heavy Atom Count: 13
• Complexity: 155

Purity/Quality:

99.9% ^*data from raw suppliers

1-Bromo-2-(bromomethyl)-4,5-dimethoxybenzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC1=C(C=C(C(=C1)CBr)Br)OC

Technology Process of 2-Bromo-4,5-dimethoxybenzyl bromide

There total 8 articles about 2-Bromo-4,5-dimethoxybenzyl 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: 100.0%

(3,4-dimethoxyphenyl)methanol (93-03-8) → 1-bromo-2-(bromomethyl)-4,5-dimethoxybenzene (53207-00-4)

Guidance literature:

With bromine; In acetic acid; at 20 ℃; for 1h;

Reference yield: 85.0%

1,2-dimethoxy-4-methylbenzene (494-99-5) → 1-bromo-2-(bromomethyl)-4,5-dimethoxybenzene (53207-00-4)

Guidance literature:

1,2-dimethoxy-4-methylbenzene; With sodium bromate; sodium bromide; In tetrachloromethane; Reflux;

With sulfuric acid; In tetrachloromethane; water; for 2.5h;

With 2,2'-azobis-(2,4-dimethylvaleronitrile); sulfuric acid; In tetrachloromethane; water; for 6h; Reflux;

Reference yield: 81.0%

2-bromo-4,5-dimethoxybenzyl alcohol (54370-00-2) → 1-bromo-2-(bromomethyl)-4,5-dimethoxybenzene (53207-00-4)

Guidance literature:

With pyridine; phosphorus tribromide; In chloroform; at 0 - 20 ℃;

DOI:10.1039/c1cc13094c

upstream raw materials:

(3,4-dimethoxyphenyl)methanol

2-bromo-4,5-dimethoxybenzyl alcohol

2-bromo-4,5-dimethoxybenzaldehyde

3,4-dimethoxy-benzaldehyde

Downstream raw materials:

3-(2-Bromo-3,4-dimethoxy-benzyloxy)-2-methyl-phenol

1-(2-bromo-4,5-dimethoxy-benzyl)-1H-indole-2-carboxylic acid methyl ester

(E)-1,2-bis(2-bromo-4,5-dimethoxyphenyl)-N,N-dimethylethenylamine

(E)-2-(2-bromo-4,5-dimethoxyphenyl)-1-(2-bromophenyl)-N,N-dimethylethenylamine

Refernces

• 1、 Wu, Kong,Xie, Zhong Pao,Cui, Dong-Mei,Zhang, Chen. "Formal total synthesis of salvianolic acid N". . p. 832 - 837. Retrieved 2018/02/09.
• 2、 -. "Preparation method for pinaverium bromide intermediate 2-bromo-4,5-dimethoxybenzyl bromide". Paragraph 0052; 0053; 0054; 0055; 0056; 0057; 0058-0071. . Retrieved 2018/03/01.