Methyl 3,5-dibromo-2-methoxybenzoate

Base Information

• Chemical Name: Methyl 3,5-dibromo-2-methoxybenzoate
• CAS No.: 15790-59-7
• Molecular Formula: C9H8Br2O3
• Molecular Weight: 323.969
• Hs Code.: 2918990090
• DSSTox Substance ID: DTXSID40594817
• Wikidata: Q72489976
• Mol file: 15790-59-7.mol

Synonyms:Methyl 3,5-dibromo-2-methoxybenzoate;15790-59-7;Methyl 3,5-dibromo-2-methoxybenzenecarboxylate;3,5-dibromo-2-methoxybenzoic acid methyl ester;SCHEMBL4113785;DTXSID40594817;JS-121C;SVSGXLZYOXVPCG-UHFFFAOYSA-N;MFCD00189410;AKOS005073031;DB-043367;CS-0447594;N12109;2-Methoxy-3,5-Dibromobenzoic Acid Methyl Ester;A809880;J-522117;Benzoic acid, 3,5-dibromo-2-methoxy-, methyl ester

Chemical Property of Methyl 3,5-dibromo-2-methoxybenzoate

Chemical Property:

• Vapor Pressure: 0.000114mmHg at 25°C
• Melting Point: 53-54 °C
• Refractive Index: 1.567
• Boiling Point: 336.2 °C at 760 mmHg
• Flash Point: 157.1 °C
• PSA: 35.53000
• Density: 1.763 g/cm³
• LogP: 3.00680
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 323.88197
• Heavy Atom Count: 14
• Complexity: 210

Purity/Quality:

98%min ^*data from raw suppliers

Methyl 3,5-dibromo-2-methoxybenzoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C(C=C1Br)Br)C(=O)OC

Technology Process of Methyl 3,5-dibromo-2-methoxybenzoate

There total 7 articles about Methyl 3,5-dibromo-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: 100.0%

3,5-dibromosalicylic acid (3147-55-5) + methyl iodide (74-88-4) → 3,5-dibromo-2-methoxy-benzoic acid methyl ester (15790-59-7)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 25 ℃; for 48h;

Reference yield:

2,4,6-tribromoanisole (607-99-8) → 3,5-dibromo-2-methoxy-benzoic acid methyl ester (15790-59-7)

Guidance literature:

Multi-step reaction with 2 steps

1: butyl lithium; diethyl ether / anschliessendes Behandeln mit festem Kohlendioxid

2: hydrogen chloride

With hydrogenchloride; n-butyllithium; diethyl ether;

DOI:10.1021/ja01866a020

Reference yield:

methanol (67-56-1) + 3,5-dibromo-2-methoxybenzoic acid (13130-23-9) → 3,5-dibromo-2-methoxy-benzoic acid methyl ester (15790-59-7)

Guidance literature:

With hydrogenchloride;

DOI:10.1021/ja01866a020

upstream raw materials:

methanol

3,5-dibromo-2-methoxybenzoic acid

3,5-dibromo-2-hydroxymethyl benzoate

methyl iodide

Downstream raw materials:

2-(3',5'-Dibrom-2'-methoxybenzoyl)-1H-pyrrol

3,5-dibromo-2-hydroxy-N-phenylbenzamide

2,7,12-Tris-(3,5-dibrom-2-methoxyphenyl)-4,4a,9,9a,14,14a-hexahydro-3H,8H,13H-tripyradizino<1,6-a:1',6'-c:1',6'-e>-s-triazin

1,4-Bis(3,5-dibrom-2-methoxyphenyl)-2-methylisoindol

Refernces

• 1、 -. "NEW COMPOUNDS II". Page/Page column 84-85. . Retrieved 2008/06/13.