Methyl 3-(bromomethyl)benzoate

Base Information

• Chemical Name: Methyl 3-(bromomethyl)benzoate
• CAS No.: 1129-28-8
• Molecular Formula: C9H9BrO2
• Molecular Weight: 229.073
• Hs Code.: 29163990
• European Community (EC) Number: 419-100-4,628-954-9
• DSSTox Substance ID: DTXSID60333760
• Nikkaji Number: J410.601F
• Wikidata: Q72488639
• Mol file: 1129-28-8.mol

Synonyms:Methyl 3-(bromomethyl)benzoate;1129-28-8;Methyl 3-bromomethylbenzoate;Methyl-3-(bromomethyl)benzoate;m-Carbomethoxybenzyl bromide;3-(Bromomethyl)benzoic acid methyl ester;Methyl3-(bromomethyl)benzoate;C9H9BrO2;Benzoic acid, 3-(bromomethyl)-, methyl ester;MFCD00051437;methyl-3-bromomethylbenzoate;Methyl alpha-Bromo-m-toluate;methyl 3-[bromomethyl]benzoate;3-MeO2CC6H4CH2Br;methyl m-bromomethylbenzoate;methyl-alpha-bromo-m-toluate;SCHEMBL28212;methyl 3-bromomethyl benzoate;methyl 3-bromomethyl-benzoate;methyl 3-(bromomethyl)-benzoate;DTXSID60333760;BCP05944;STR06080;BBL010210;CL8548;STK397334;3-Bromomethylbenzoic acid methyl ester;AKOS000446924;Methyl 3-(bromomethyl)benzoate, 97%;alpha-Bromo-m-toluic Acid Methyl Ester;CS-W008837;3-bromomethyl benzoic acid methyl ester;3-bromomethyl-benzoic acid methyl ester;AC-25705;BP-10822;3-(bromomethyl)-benzoic acid methyl ester;3-(bromomethyl)benzoic acid, methyl ester;3-(bromomethyl) benzoic acid, methyl ester;AM20020218;B2224;FT-0628486;EN300-10007;A24722;A929802;J-002876;J-522662;Z56989676;F1967-1684

Chemical Property of Methyl 3-(bromomethyl)benzoate

Chemical Property:

• Appearance/Colour: white crystalline powder or crystals
• Vapor Pressure: 0.0023mmHg at 25°C
• Melting Point: 43-46 °C
• Refractive Index: 1.559
• Boiling Point: 288.7 °C at 760 mmHg
• Flash Point: 128.4 °C
• PSA: 26.30000
• Density: 1,47 g/cm³
• LogP: 2.36810
• Storage Temp.: 2-8°C
• Water Solubility.: Slightly soluble in water.
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 227.97859
• Heavy Atom Count: 12
• Complexity: 159

Purity/Quality:

97% ^*data from raw suppliers

Methyl 3-(bromomethyl)benzoate 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C,Xi
• Hazard Codes: C,Xi
• Statements: 22-34-43
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: COC(=O)C1=CC=CC(=C1)CBr
• Uses: Methyl 3-(bromomethyl)benzoate is used in organic synthesis of other chemicals.

Technology Process of Methyl 3-(bromomethyl)benzoate

There total 15 articles about Methyl 3-(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%

1-methoxycarbonyl-3-methylbenzene (99-36-5) → 3-methoxycarbonylbenzyl bromide (1129-28-8)

Guidance literature:

With N-Bromosuccinimide; In acetonitrile; at 20 ℃; for 0.25h; Irradiation;

DOI:10.1039/b302738d

Reference yield: 97.0%

methanol (67-56-1) + 3-bromomethylbenzoyl chloride (54267-06-0) → 3-methoxycarbonylbenzyl bromide (1129-28-8)

Guidance literature:

With triethylamine; at 20 ℃; for 1h;

Reference yield: 96.0%

1-methoxycarbonyl-3-methylbenzene (99-36-5) → 3-methoxycarbonylbenzyl bromide (1129-28-8) + methyl 3-(dibromomethyl)benzoate

Guidance literature:

With 1,3-dibromo-5,5-dimethylimidazolidine-2,4-dione; 2,2'-azobis(isobutyronitrile); In dichloromethane; at 20 ℃; for 10h; Heating / reflux;

upstream raw materials:

1-methoxycarbonyl-3-methylbenzene

3-Methylbenzoyl chloride

methanol

diazomethane

Downstream raw materials:

methyl 3-[(piperidin-1-yl)methyl]-benzoate

methyl 3-(diethylaminomethyl)-benzoate

methyl 3-(iodomethyl)benzoate

3-<3-Chlor-4-butyryl-phenoxymethyl>-benzoesaeure