Methyl 3,5-dibromobenzoate

Base Information

• Chemical Name: Methyl 3,5-dibromobenzoate
• CAS No.: 51329-15-8
• Molecular Formula: C8H6Br2O2
• Molecular Weight: 293.942
• Hs Code.: 29163990
• European Community (EC) Number: 610-649-7
• DSSTox Substance ID: DTXSID00347467
• Nikkaji Number: J89.615B
• Wikidata: Q72489968
• ChEMBL ID: CHEMBL2252128
• Mol file: 51329-15-8.mol

Synonyms:Methyl 3,5-dibromobenzoate;51329-15-8;Methyl3,5-dibromobenzoate;3,5-Dibromobenzoic Acid Methyl Ester;Benzoic acid, 3,5-dibromo-, methyl ester;MFCD00082648;Maybridge1_007706;SCHEMBL2408987;3,5-dibromo-2-methyl-benzoate;CHEMBL2252128;GSMAWUZTAIOCPL-UHFFFAOYSA-;HMS563G06;DTXSID00347467;CCG-48108;CL8543;3,5-dibromo-benzoic acid methyl ester;AKOS015834170;CS-W001088;DS-1114;PS-7162;AC-28737;SY024497;AM20060242;FT-0628509;M1929;EN300-258781;A828536;J-400994;SR-01000637677-1;Z1269219227

Chemical Property of Methyl 3,5-dibromobenzoate

Chemical Property:

• Appearance/Colour: white solid.
• Vapor Pressure: 0.00164mmHg at 25°C
• Melting Point: 64-65 °C
• Refractive Index: 1.583
• Boiling Point: 294.2 °C at 760 mmHg
• Flash Point: 131.8 °C
• PSA: 26.30000
• Density: 1.84 g/cm³
• LogP: 2.99820
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: soluble in Methanol
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 293.87141
• Heavy Atom Count: 12
• Complexity: 162

Purity/Quality:

98%,99%, ^*data from raw suppliers

Methyl 3,5-Dibromobenzoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39-37

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Methyl 3,5-dibromobenzoate

There total 15 articles about Methyl 3,5-dibromobenzoate 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%

methanol (67-56-1) + 3,5-dibromobenzoic acid (618-58-6) → methyl 3,5-dibromobenzoate (51329-15-8)

Guidance literature:

3,5-dibromobenzoic acid; With thionyl chloride; for 5h; Reflux; Inert atmosphere;

methanol; for 12h; Reflux;

DOI:10.1021/acs.inorgchem.6b00954

Reference yield: 99.0%

3,5-dibromobenzoic acid (618-58-6) + acetyl chloride (75-36-5) → methyl 3,5-dibromobenzoate (51329-15-8)

Guidance literature:

In methanol; for 17h; Reflux;

Reference yield: 95.0%

3,5-dibromobenzoic acid (618-58-6) + methyl iodide (74-88-4) → methyl 3,5-dibromobenzoate (51329-15-8)

Guidance literature:

With potassium hydroxide; In dimethyl sulfoxide;

DOI:10.1021/ma034362d

upstream raw materials:

methanol

3,5-dibromobenzoic acid

anthranilic acid

methyl iodide

Downstream raw materials:

methyl 3,5-bis(4-(4-methoxymethoxyphenyl)phenyl)benzoate

3,5-bis-[2-(4-tert-butyl-phenyl)-vinyl]-benzoic acid methyl ester

3,5-dibromobenzoic hydrazide

3-bromo-5-hydroxy-benzoic acid methyl ester

Refernces

• 1、 -. "Novel thermal activation delayed fluorescence material based on excimer luminescence and application thereof". Paragraph 0018. . Retrieved 2020/12/08.
• 2、 Del Poeta, Maurizio,Haranahalli, Krupanandan,Lazzarini, Cristina,Mallamo, John,McCarthy, J. Brian,Ojima, Iwao,Pathiranage, Senuri,Sun, Yi,Zambito, Julia. "SAR Studies on Aromatic Acylhydrazone-Based Inhibitors of Fungal Sphingolipid Synthesis as Next-Generation Antifungal Agents". . . Retrieved 2019/09/06.