Methyl 4-(bromomethyl)-2-methoxybenzoate

Base Information

• Chemical Name: Methyl 4-(bromomethyl)-2-methoxybenzoate
• CAS No.: 74733-27-0
• Molecular Formula: C10H11BrO3
• Molecular Weight: 259.1
• Hs Code.: 2918990090
• European Community (EC) Number: 825-559-5
• DSSTox Substance ID: DTXSID80461332
• Nikkaji Number: J3.381.772J
• Wikidata: Q82285624
• Mol file: 74733-27-0.mol

Synonyms:methyl 4-(bromomethyl)-2-methoxybenzoate;74733-27-0;METHYL 4-BROMOMETHYL-2-METHOXYBENZOATE;MFCD11976783;4-Bromomethyl-2-methoxy-benzoic acid methyl ester;Benzoic acid, 4-(bromomethyl)-2-methoxy-, methyl ester;Benzoicacid,4-(bromomethyl)-2-methoxy-,methylester;SCHEMBL2772618;DTXSID80461332;DCXFLSHDURQRML-UHFFFAOYSA-N;CL8565;methyl 4-bromomethyl-2methoxybenzoate;AKOS015890904;4-Carbomethoxy-3-methoxybenzyl bromide;AM84984;CS-W020494;GS-3862;methyl 2-methoxy-4-(bromomethyl)benzoate;SY110885;FT-0737952;A25964;EN300-123146;4-(bromomethyl)-2-methoxy-benzoic acid methyl ester;4-(Bromomethyl)-2-methoxybenzoic acid methyl ester

Chemical Property of Methyl 4-(bromomethyl)-2-methoxybenzoate

Chemical Property:

• Vapor Pressure: 0.000115mmHg at 25°C
• Boiling Point: 336.1oC at 760 mmHg
• Flash Point: 157.1oC
• PSA: 35.53000
• Density: 1.432g/cm3
• LogP: 2.37670
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 257.98916
• Heavy Atom Count: 14
• Complexity: 196

Purity/Quality:

97% ^*data from raw suppliers

Methyl4-(Bromomethyl)-2-methoxybenzoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Methyl 4-(bromomethyl)-2-methoxybenzoate

There total 15 articles about Methyl 4-(bromomethyl)-2-methoxybenzoate 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: 99.0%

2-hydroxy-p-toluic acid (50-85-1) + methyl iodide (74-88-4) → methyl 4-bromomethyl-2-methoxybenzoate (74733-27-0)

Guidance literature:

2-hydroxy-p-toluic acid; methyl iodide; With potassium carbonate; In acetone; for 96h; Heating / reflux;

With N-Bromosuccinimide; 2,2'-azobis(isobutyronitrile); In tetrachloromethane; for 4h; Heating / reflux;

Reference yield: 96.0%

methyl 4-methyl-2-methoxybenzoate (81245-24-1) → methyl 4-bromomethyl-2-methoxybenzoate (74733-27-0)

Guidance literature:

With bromine; In tetrachloromethane; for 1.75h; Heating / reflux; Irradiation;

Reference yield:

2-hydroxy-p-toluic acid (50-85-1) → methyl 4-bromomethyl-2-methoxybenzoate (74733-27-0)

Guidance literature:

With N-Bromosuccinimide; CH₃I; potassium carbonate; azobisisobutyronitrile; In tetrachloromethane; diethyl ether; acetone;

upstream raw materials:

methanol

4-(bromomethyl)-2-methoxybenzoic acid

methyl 4-methyl-2-methoxybenzoate

4'-hydroxy-2'-methylacetophenone

Downstream raw materials:

methyl 4-cyanomethyl-2-methoxy-benzoate

methyl 4-formyl-2-methoxybenzoate

2-methoxy-4-{2-[4-(2-pyrrolidin-1-yl-ethoxy)-phenyl]-indol-1-ylmethyl}-benzoic acid methyl ester

methyl 2-Methoxy-4-[[2-[4-[2-(1-pyrrolidinyl)ethoxy]-phenyl]-5-azaindol-1-yl]methyl]benzoate