Methyl 4-chloro-3-methylbenzoate

Base Information

• Chemical Name: Methyl 4-chloro-3-methylbenzoate
• CAS No.: 91367-05-4
• Molecular Formula: C9H9ClO2
• Molecular Weight: 184.622
• Hs Code.: 29163990
• European Community (EC) Number: 618-736-1
• DSSTox Substance ID: DTXSID80426764
• Wikidata: Q72489293
• Mol file: 91367-05-4.mol

Synonyms:Methyl 4-chloro-3-methylbenzoate;91367-05-4;4-Chloro-3-methylbenzoic Acid Methyl Ester;Benzoic acid, 4-chloro-3-methyl-, methyl ester;2-Chloro-5-(methoxycarbonyl)toluene;SCHEMBL2237689;DTXSID80426764;methyl 4-chloro-3-methyl-benzoate;CK2320;MFCD00151838;AKOS006229001;FS-2208;4-Chloro-3-methylbenzoic acid, methyl ester;CS-0131366;FT-0628625;M1935;A843811

Chemical Property of Methyl 4-chloro-3-methylbenzoate

Chemical Property:

• Vapor Pressure: 0.0263mmHg at 25°C
• Refractive Index: 1.537
• Boiling Point: 247 °C at 760 mmHg
• Flash Point: 113.6 °C
• PSA: 26.30000
• Density: 1.186g/cm³
• LogP: 2.43500
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 184.0291072
• Heavy Atom Count: 12
• Complexity: 170

Purity/Quality:

98% ^*data from raw suppliers

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

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=CC(=C1)C(=O)OC)Cl

Technology Process of Methyl 4-chloro-3-methylbenzoate

There total 3 articles about Methyl 4-chloro-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: 93.0%

4-chloro-3-methylbenzoic acid (7697-29-2) + methyl iodide (74-88-4) → methyl 4-chloro-3-methylbenzoate (91367-05-4)

Guidance literature:

With caesium carbonate; In N,N-dimethyl-formamide; at 20 - 23 ℃;

Reference yield: 90.1%

methanol (67-56-1) + 4-chloro-3-methylbenzoic acid (7697-29-2) → methyl 4-chloro-3-methylbenzoate (91367-05-4)

Guidance literature:

With sulfuric acid; for 8h; Reflux;

DOI:10.1016/j.ejmech.2014.11.008

Reference yield:

methyl 4-amino-3-methylbenzoate (18595-14-7) → methyl 4-chloro-3-methylbenzoate (91367-05-4)

Guidance literature:

With hydrogenchloride; copper(l) chloride; sodium nitrite; In water; at 0 - 5 ℃;

DOI:10.1016/j.bmcl.2009.05.054

upstream raw materials:

4-chloro-3-methylbenzoic acid

methyl iodide

methyl 4-amino-3-methylbenzoate

methanol

Downstream raw materials:

methyl 3-(bromomethyl)-4-chlorobenzoate

1-(4-chloro-3-methylphenyl)-2-(2-chloro-4-pyrimidinyl)ethanone

2-(4-Chloro-3-methyl-phenyl)-propan-2-ol

methyl 4-chloro-3-(cyanomethyl)benzoate