Methyl 3,5-bis(bromomethyl)benzoate

Base Information

• Chemical Name: Methyl 3,5-bis(bromomethyl)benzoate
• CAS No.: 29333-41-3
• Molecular Formula: C10H10Br2O2
• Molecular Weight: 321.996
• Hs Code.: 2916399090
• DSSTox Substance ID: DTXSID00453198
• Nikkaji Number: J1.070.465K
• Wikidata: Q82274274
• Mol file: 29333-41-3.mol

Synonyms:Methyl 3,5-bis(bromomethyl)benzoate;29333-41-3;MFCD00182471;Benzoic acid, 3,5-bis(bromomethyl)-, methyl ester;SCHEMBL455338;DTXSID00453198;VKDYWLKLAIJZPL-UHFFFAOYSA-N;methyl3,5-bis(bromomethyl)benzoate;AMY38432;methyl-3,5-bis(bromomethyl)-benzoate;Methyl 3,5-bis(bromomethyl)-benzoate;AS-68126;SY103814;CS-0045310;FT-0715915;3,5-Bis(bromomethyl)benzoic acid methyl ester;F16311;A912702

Chemical Property of Methyl 3,5-bis(bromomethyl)benzoate

Chemical Property:

• Melting Point: 91-93 °C
• Boiling Point: 375.9±42.0 °C(Predicted)
• PSA: 26.30000
• Density: 1.728±0.06 g/cm3(Predicted)
• LogP: 3.26300
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 321.90271
• Heavy Atom Count: 14
• Complexity: 185

Purity/Quality:

97% ^*data from raw suppliers

Methyl3,5-bis(bromomethyl)benzoate 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=CC(=CC(=C1)CBr)CBr

Technology Process of Methyl 3,5-bis(bromomethyl)benzoate

There total 11 articles about Methyl 3,5-bis(bromomethyl)benzoate 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: 90.0%

3,5-bis(hydroxylmethyl)benzoic acid methyl ester (193953-02-5) → methyl 3,5-bis(bromomethyl)benzoate (29333-41-3)

Guidance literature:

With phosphorus tribromide; In tetrachloromethane; at 20 ℃;

DOI:10.1016/j.tetlet.2015.11.035

Reference yield: 85.0%

methyl 3,5-dimethylbenzoate (25081-39-4) → methyl 3,5-bis(bromomethyl)benzoate (29333-41-3)

Guidance literature:

With N-Bromosuccinimide; Perbenzoic acid; In tetrachloromethane; for 3h; Heating;

DOI:10.1021/jm00185a009

Reference yield: 85.0%

methyl 3,5-dimethylbenzoate (25081-39-4) → methyl 3,5-bis(bromomethyl)benzoate (29333-41-3) + 3-bromomethyl-5-methyl-benzoic acid methyl ester (120511-79-7)

Guidance literature:

With sodium bromate; sodium hydrogensulfite; In water; ethyl acetate; at 20 ℃; for 4h;

DOI:10.1039/b707768h

upstream raw materials:

methyl 3,5-dimethylbenzoate

3,5-dimethylbenzoic acid

3,5-dimethylbenzoyl chloride

3,5-bis(hydroxylmethyl)benzoic acid methyl ester

Downstream raw materials:

13,37-Bis(methoxycarbonyl)-9,18,33,42-tetrakis(4-methoxyphenylsulfonyl)-1,2,9,18,25,26,33,42-octaaza<2.2.2.2.2.2>(1,3)cyclophan-1,25-dien

C₃₇H₄₉BrN₂O₁₀

methyl 3,5-bis(azidomethyl)benzoate

3,5-Bis[N-benzyloxycarbonyl-N-(4-tolylsulfonyl)aminomethyl]benzoic acid methyl ester