Methyl 2,3-bis(bromomethyl)benzoate

Base Information

• Chemical Name: Methyl 2,3-bis(bromomethyl)benzoate
• CAS No.: 127168-91-6
• Molecular Formula: C10H10Br2O2
• Molecular Weight: 321.996
• Hs Code.: 2916399090
• European Community (EC) Number: 818-034-7
• DSSTox Substance ID: DTXSID90569858
• Wikidata: Q82457103
• Mol file: 127168-91-6.mol

Synonyms:methyl 2,3-bis(bromomethyl)benzoate;127168-91-6;methyl2,3-bis(bromomethyl)benzoate;Benzoic acid, 2,3-bis(bromomethyl)-, methyl ester;SCHEMBL5839700;DTXSID90569858;CS-M0914;MFCD18642874;AKOS016845128;CS-13734;EN300-119611;J-521886;2-AMINO-4-METHYLPHENYLBORONICACID,PINACOLESTER

Chemical Property of Methyl 2,3-bis(bromomethyl)benzoate

Chemical Property:

• Boiling Point: 375.4 °C at 760 mmHg
• Flash Point: 180.8 °C
• PSA: 26.30000
• Density: 1.728 g/cm³
• 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: 197

Purity/Quality:

98%min ^*data from raw suppliers

Methyl2,3-bis(broMoMethyl)benzoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=CC=CC(=C1CBr)CBr

Technology Process of Methyl 2,3-bis(bromomethyl)benzoate

There total 4 articles about Methyl 2,3-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: 100.0%

methyl 2,3-dimethylbenzoate (15012-36-9) → methyl 2,3-bis(bromomethyl)benzoate (127168-91-6)

Guidance literature:

With N-Bromosuccinimide; 2,2'-azobis(isobutyronitrile); In tetrachloromethane; at 80 ℃; for 16h;

Reference yield: 99.0%

diazomethane (186581-53-3,908094-01-9,334-88-3) + 2,3-Bis-bromomethyl-benzoic acid (214619-64-4) → methyl 2,3-bis(bromomethyl)benzoate (127168-91-6)

Guidance literature:

In tetrahydrofuran; diethyl ether; for 2h; Ambient temperature;

Reference yield:

tetrachloromethane (56-23-5) + methyl 2,3-dimethylbenzoate (15012-36-9) → methyl 2,3-bis(bromomethyl)benzoate (127168-91-6)

Guidance literature:

With N-Bromosuccinimide; dibenzoyl peroxide;

upstream raw materials:

methyl 2,3-dimethylbenzoate

diazomethane

2,3-Bis-bromomethyl-benzoic acid

2,3-dimethylbenzoic acid

Downstream raw materials:

2,3-Bis-(diethoxy-phosphorylmethyl)-benzoic acid methyl ester

C₂₂H₁₈Cl₂O₄

methyl 2-benzylisoindoline-4-carboxylate

Refernces

• 1、 -. "ISOINDOLINE COMPOSITIONS AND METHODS FOR TREATING NEURODEGENERATIVE DISEASE". Paragraph 0503; 0506. . Retrieved 2015/09/23.
• 2、 -. "Dual inhibitors of adipocyte fatty acid binding protein and keratinocyte fatty acid binding protein". Page 28. . Retrieved 2010/02/06.