4-Chloro-2-methylanisole

Base Information

• Chemical Name: 4-Chloro-2-methylanisole
• CAS No.: 3260-85-3
• Molecular Formula: C8H9ClO
• Molecular Weight: 156.612
• Hs Code.: 29093038
• European Community (EC) Number: 221-860-5
• NSC Number: 300882
• UNII: 7G3KQ2A26K
• DSSTox Substance ID: DTXSID6041507
• Nikkaji Number: J262.359E
• Wikidata: Q27268221
• ChEMBL ID: CHEMBL3187117
• Mol file: 3260-85-3.mol

Synonyms:4-Chloro-2-methylanisole;3260-85-3;4-chloro-1-methoxy-2-methylbenzene;5-Chloro-2-methoxytoluene;2-Methyl-4-Chloroanisole;4-Chloro-2-methyl anisole;Benzene, 4-chloro-1-methoxy-2-methyl-;UNII-7G3KQ2A26K;7G3KQ2A26K;DTXSID6041507;EINECS 221-860-5;NSC 300882;NSC-300882;NSC300882;O(C)c1ccc(Cl)cc1C;SCHEMBL91412;4-Chloro-3-methylmethoxybenzene;CHEMBL3187117;DTXCID4021507;4-Chloro-2-methylanisole, 97%;CHLORO-2-METHYLANISOLE, 4-;Tox21_300717;MFCD00070771;STL183253;AKOS015850419;ANISOLE, 4-CHLORO-2-METHYL-;NCGC00248150-01;NCGC00254623-01;CAS-3260-85-3;2-METHYL-4-CHLOROPHENYL METHYL ETHER;C1724;CS-0186976;FT-0618031;D89453;A821337;W-106834;Q27268221;F0001-0968

Chemical Property of 4-Chloro-2-methylanisole

Chemical Property:

• Appearance/Colour: clear colorless to slightly yellowish liquid
• Vapor Pressure: 0.363mmHg at 25°C
• Melting Point: 36-39 °C(lit.)
• Refractive Index: 1.5345-1.5365
• Boiling Point: 205.2 °C at 760 mmHg
• Flash Point: 84 °C
• PSA: 9.23000
• Density: 1.105 g/cm³
• LogP: 2.65700
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 156.0341926
• Heavy Atom Count: 10
• Complexity: 105

Purity/Quality:

99% ^*data from raw suppliers

4-Chloro-2-methylanisole ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

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

Technology Process of 4-Chloro-2-methylanisole

There total 7 articles about 4-Chloro-2-methylanisole 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%

2-methylmethoxybenzene (578-58-5) → 2-methyl-4-chloroanisole (3260-85-3)

Guidance literature:

With kaolin; sodium chlorite; manganese(III) acetylacetonate; In dichloromethane; at 25 ℃; for 1.83333h;

DOI:10.1039/a804043e

Reference yield: 81.0%

2-methyl-4-chlorophenol (1570-64-5) + dimethyl sulfate (77-78-1) → 2-methyl-4-chloroanisole (3260-85-3)

Guidance literature:

DOI:10.1016/S0040-4020(01)97204-7

Reference yield:

5-chloro-2-methoxybenzaldehyde (7035-09-8) → 2-methyl-4-chloroanisole (3260-85-3)

Guidance literature:

With hydrogenchloride; potassium hydroxide; hydrazine hydrate; In tetrachloromethane; diethylene glycol;

upstream raw materials:

2-methylmethoxybenzene

2-methyl-4-chlorophenol

methyl iodide

dimethyl sulfate

Downstream raw materials:

5-chloro-2-methoxybenzoic acid

5-chloro-2-hydroxybenzoic acid

1-Azidomethoxy-4-chloro-2-chloromethyl-benzene

1-Azidomethoxy-4-chloro-2-(4-ethyl-phenoxymethyl)-benzene

Refernces

• 1、 -. "Efficient halogenation synthesis method of aryl halide". Paragraph 0164-0168. . Retrieved 2021/03/31.
• 2、 Samanta, Ramesh C.,Yamamoto, Hisashi. "Selective Halogenation Using an Aniline Catalyst". supporting information. p. 11976 - 11979. Retrieved 2015/08/18.