Methyl 4-(dibromomethyl)benzoate

Base Information

• Chemical Name: Methyl 4-(dibromomethyl)benzoate
• CAS No.: 131852-50-1
• Molecular Formula: C9H8 Br2 O2
• Molecular Weight: 307.969
• Hs Code.: 2916399090
• DSSTox Substance ID: DTXSID60395621
• Wikidata: Q82195801
• Mol file: 131852-50-1.mol

Synonyms:methyl 4-(dibromomethyl)benzoate;131852-50-1;4-Dibromomethyl-benzoic acid methyl ester;SCHEMBL1028048;DTXSID60395621;AKOS000116769;methyl 4-(dibromomethyl)benzene-carboxylate;EN300-03927

Chemical Property of Methyl 4-(dibromomethyl)benzoate

Chemical Property:

• Vapor Pressure: 0.000258mmHg at 25°C
• Boiling Point: 323.7°Cat760mmHg
• Flash Point: 149.6°C
• PSA: 26.30000
• Density: 1.803g/cm³
• LogP: 3.26160
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 307.88706
• Heavy Atom Count: 13
• Complexity: 175

Purity/Quality:

97% ^*data from raw suppliers

4-DIBROMOMETHYL-BENZOIC ACID METHYL ESTER 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=CC=C(C=C1)C(Br)Br

Technology Process of Methyl 4-(dibromomethyl)benzoate

There total 7 articles about Methyl 4-(dibromomethyl)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: 99.5%

1-(dibromomethyl)-4-(dimethoxymethyl)benzene → methyl 4-(dibromomethyl)benzenecarboxylate (131852-50-1)

Guidance literature:

With N-Bromosuccinimide; In tetrachloromethane; for 1h; Inert atmosphere; Reflux; Irradiation;

DOI:10.1134/S1070363218110014

Reference yield: 98.8%

4-(dibromomethyl)benzoyl bromide (877-75-8) + trimethyl orthoformate (149-73-5) → methyl 4-(dibromomethyl)benzenecarboxylate (131852-50-1)

Guidance literature:

With zinc(II) chloride; In chloroform; at 50 ℃; for 0.5h;

DOI:10.1134/S1070363218110014

Reference yield: 80.0%

4-methyl-benzoic acid methyl ester (99-75-2) → methyl 4-(dibromomethyl)benzenecarboxylate (131852-50-1)

Guidance literature:

With N-Bromosuccinimide; dibenzoyl peroxide; In tetrachloromethane; Reflux;

DOI:10.1039/c4ra02312a

upstream raw materials:

4-methyl-benzoic acid methyl ester

sodium acetate

4-(dibromomethyl)benzoyl bromide

trimethyl orthoformate

Downstream raw materials:

methyl 4-(4-oxo-1,2,3,4-tetrahydroquinazolin-2-yl)benzoate

trans-4,4'-dimethyl 4,4'-dicarboxylate-1,2-diphenylethylene

benzaldehyde

methyl 4-formylbenzoate

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