2-Chloro-4-methoxyphenol

Base Information

• Chemical Name: 2-Chloro-4-methoxyphenol
• CAS No.: 18113-03-6
• Molecular Formula: C7H7ClO2
• Molecular Weight: 158.584
• Hs Code.: 29071990
• European Community (EC) Number: 242-007-3
• DSSTox Substance ID: DTXSID50171077
• Nikkaji Number: J260.877D
• Wikidata: Q72453296
• Mol file: 18113-03-6.mol

Synonyms:2-Chloro-4-methoxyphenol;18113-03-6;3-Chloro-4-hydroxyanisole;Phenol, chloro-4-methoxy-;Phenol, 2-chloro-4-methoxy-;EINECS 242-007-3;MFCD00070773;2-chloro-4-methoxy-phenol;SCHEMBL754809;DTXSID50171077;2-Chloro-4-methoxyphenol, 98%;CL8463;AKOS005288310;CS-W008217;FS-2159;AC-25976;BP-12710;SY018292;A4014;AM20050204;FT-0611955;EN300-196317;J-200044

Chemical Property of 2-Chloro-4-methoxyphenol

Chemical Property:

• Appearance/Colour: White to light yellow cryst. low melting solid
• Vapor Pressure: 0.0184mmHg at 25°C
• Melting Point: 41-44 °C(lit.)
• Refractive Index: 1.554
• Boiling Point: 245.357 °C at 760 mmHg
• PKA: 8.98±0.18(Predicted)
• Flash Point: 102.189 °C
• PSA: 29.46000
• Density: 1.281 g/cm³
• LogP: 2.05420
• Storage Temp.: 0-10°C
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 158.0134572
• Heavy Atom Count: 10
• Complexity: 108

Purity/Quality:

99.0% ^*data from raw suppliers

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

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=C(C=C1)O)Cl

Technology Process of 2-Chloro-4-methoxyphenol

There total 21 articles about 2-Chloro-4-methoxyphenol 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: 99.0%

4,4-dimethoxycyclohexa-2,5-dienone (935-50-2) → 2-chloro-4-methoxyphenol (18113-03-6)

Guidance literature:

With N,N'-Dimethylhydrazine dihydrochloride; In acetonitrile; for 0.5h; Reagent/catalyst; regioselective reaction; Reflux;

DOI:10.1039/c4ob00391h

Reference yield: 99.0%

2-chloro-4-methoxyphenyl acetate → 2-chloro-4-methoxyphenol (18113-03-6)

Guidance literature:

With water; potassium hydroxide; In methanol; at 20 ℃; for 2h;

DOI:10.1021/acs.orglett.1c02183

Reference yield: 90.0%

2-chloro-4-methoxy-1-(2-phenylallyloxy)benzene → 2-chloro-4-methoxyphenol (18113-03-6)

Guidance literature:

With tert.-butyl lithium; In tetrahydrofuran; pentane; at -78 ℃; for 0.5h;

DOI:10.1039/b414966a

upstream raw materials:

4-methoxy-phenol

2,2,3,4,5,6-hexachloro-cyclohexa-2,4-dien-1-one

1,4-dimethoxybezene

2-chloro-4-methoxyphenyl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate

Downstream raw materials:

2-chloro-4,4-dimethoxycyclohexa-2,5-dien-1-one

3-[6-(2-Chloro-4-methoxy-phenoxy)-hexyl]-pentane-2,4-dione

2-chloro-6-(hydroxymethyl)-4-methoxyphenol

2-chloro-4-(2-chloro-4-methoxy-phenoxy)-benzaldehyde

Refernces

• 1、 Hong Nguyen, Thi Anh,Hou, Duen-Ren. "Direct Acetoxylation of Arenes". supporting information. p. 8127 - 8131. Retrieved 2021/08/23.
• 2、 Zhu, Runqing,Sun, Qianqian,Li, Jing,Li, Luohao,Gao, Qinghe,Wang, Yakun,Fang, Lizhen. "Para -Selective hydroxylation of alkyl aryl ethers". supporting information. p. 13190 - 13193. Retrieved 2021/12/16.