Methyl 4-bromo-3-methylbenzoate

Base Information

• Chemical Name: Methyl 4-bromo-3-methylbenzoate
• CAS No.: 148547-19-7
• Molecular Formula: C9H9 Br O2
• Molecular Weight: 229.073
• Hs Code.: 2916399090
• European Community (EC) Number: 629-103-4
• DSSTox Substance ID: DTXSID30391150
• Nikkaji Number: J1.109.143A
• Wikidata: Q72488637
• Mol file: 148547-19-7.mol

Synonyms:Methyl 4-bromo-3-methylbenzoate;148547-19-7;4-Bromo-3-methylbenzoic Acid Methyl Ester;METHYL4-BROMO-3-METHYLBENZOATE;BENZOIC ACID, 4-BROMO-3-METHYL-, METHYL ESTER;4-Bromo-3-methyl-benzoic acid methyl ester;methyl 3-methyl-4-bromobenzoate;MFCD00673014;3-methyl-4-bromobenzoic acid methyl ester;Methyl 4-Bromo-m-toluate;Methyl 4-Bromo-3-Methyl-Benzoate;4-Bromo-m-toluic Acid Methyl Ester;SCHEMBL205089;methyl-4-bromo-3-methylbenzoate;DTXSID30391150;GTZTYNPAPQKIIR-UHFFFAOYSA-N;BCP24564;AB9645;AKOS005259108;AC-5783;CS-W008076;PS-7740;Methyl 4-bromo-3-methylbenzoate, 95%;SY007825;4-bromo-3-methyl benzoic acid methyl ester;AM20050152;B2256;FT-0612062;EN300-7372359;W-205680

Chemical Property of Methyl 4-bromo-3-methylbenzoate

Chemical Property:

• Appearance/Colour: White or light red powder
• Vapor Pressure: 0.002mmHg at 25°C
• Melting Point: 38-44 ºC
• Boiling Point: 287.4 °C at 760 mmHg
• Flash Point: >110 ºC
• PSA: 26.30000
• Density: 1.433 g/cm³
• LogP: 2.54410
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: soluble in Methanol
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 227.97859
• Heavy Atom Count: 12
• Complexity: 170

Purity/Quality:

Methyl 4-bromo-3-methylbenzoate ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1=C(C=CC(=C1)C(=O)OC)Br
• Uses: Methyl 4-bromo-3-methylbenzoate may be used in the preparation of:4-bromo-3-vinylbenzoic acid4-bromo-3-(methylphenyl)methanolmethyl (E)-4-bromo-3-[(phenylmethoxyimino)methyl]benzoateIt may be used as a starting material in the total synthesis of (-)-martinellic acid.

Technology Process of Methyl 4-bromo-3-methylbenzoate

There total 6 articles about Methyl 4-bromo-3-methylbenzoate 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: 98.0%

→ 4-Bromo-3-methylbenzoic acid methyl ester (148547-19-7)

Guidance literature:

Reference yield: 97.0%

methanol (67-56-1) + 4-bromo-3-methylbenzoic acid (7697-28-1) → 4-Bromo-3-methylbenzoic acid methyl ester (148547-19-7)

Guidance literature:

With sulfuric acid; In methanol; for 14h; Reflux;

Reference yield: 83.1%

4-bromo-3-methylbenzoic acid (7697-28-1) + methyl iodide (74-88-4) → 4-Bromo-3-methylbenzoic acid methyl ester (148547-19-7)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 50 ℃; for 2.5h;

upstream raw materials:

4-bromo-3-methylbenzoic acid

methyl iodide

methanol

methyl 4-amino-3-methylbenzoate

Downstream raw materials:

4-(4-tert-butoxycarbonyl-2-oxo-piperazin-1-yl)-3-methyl-benzoic acid methyl ester

4-bromo-N-methoxy-3,N-dimethylbenzamide

methyl 4-bromo-3-(bromomethyl)benzoate

2-bromo-5-(methoxycarbonyl)phenylmethylene diacetate

Refernces

• 1、 Eleya, Nadi,Li, Shuo,Staubitz, Anne. "Cross-coupling strategy for the synthesis of diazocines". supporting information. p. 1624 - 1627. Retrieved 2020/03/13.
• 2、 -. "SPIROCYCLIC CETP INHIBITORS". Page/Page column 29; 31. . Retrieved 2014/07/08.