1-Chloro-2,4-dimethoxybenzene

Base Information

• Chemical Name: 1-Chloro-2,4-dimethoxybenzene
• CAS No.: 7051-13-0
• Molecular Formula: C8H9ClO2
• Molecular Weight: 172.611
• Hs Code.: 2909309090
• European Community (EC) Number: 674-047-6
• DSSTox Substance ID: DTXSID20220783
• Nikkaji Number: J275.712E
• Wikidata: Q72518595
• Mol file: 7051-13-0.mol

Synonyms:1-Chloro-2,4-dimethoxybenzene;7051-13-0;2,4-dimethoxychlorobenzene;2,4-dimethoxy chlorobenzene;Chloro-2,4-dimethoxybenzene;SCHEMBL196970;Chloro-2,4-Dimethoxy-benzene;4-chlororesorcinol dimethyl ether;DTXSID20220783;1-chloranyl-2,4-dimethoxy-benzene;MFCD00060636;AKOS006344690;FS-1524;1-Chloro-2,4-dimethoxybenzene, AldrichCPR;CS-0144554;FT-0607590;E89368;EN300-248720;A836905

Chemical Property of 1-Chloro-2,4-dimethoxybenzene

Chemical Property:

• Vapor Pressure: 0.0732mmHg at 25°C
• Refractive Index: 1.507
• Boiling Point: 236.3 °C at 760 mmHg
• Flash Point: 91.2 °C
• PSA: 18.46000
• Density: 1.155 g/cm³
• LogP: 2.35720
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 172.0291072
• Heavy Atom Count: 11
• Complexity: 119

Purity/Quality:

98%,99%, ^*data from raw suppliers

1-Chloro-2,4-dimethoxybenzene ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 36/37/38-22
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=C(C=C1)Cl)OC
• Uses: 1-Chloro-2,4-dimethoxybenzene is used in preparation of Agrimonia Pilosa.

Technology Process of 1-Chloro-2,4-dimethoxybenzene

There total 18 articles about 1-Chloro-2,4-dimethoxybenzene 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%

2,4-dimethoxyphenol (13330-65-9) → 1-chloro-2,4-dimethoxybenzene (7051-13-0)

Guidance literature:

With tetrabutyl-ammonium chloride; 3,3-dimethyldioxirane; In acetone;

DOI:10.2174/157017809789869474

Reference yield: 97.0%

4-Chlororesorcinol (95-88-5) + methyl iodide (74-88-4) → 1-chloro-2,4-dimethoxybenzene (7051-13-0)

Guidance literature:

With potassium carbonate; In acetone; Reflux;

Reference yield: 96.0%

1,3-Dimethoxybenzene (151-10-0) → 1-chloro-2,4-dimethoxybenzene (7051-13-0)

Guidance literature:

With gold(III) chloride; N-chloro-succinimide; In dichloromethane; at 20 ℃; for 24h; Inert atmosphere;

DOI:10.1002/anie.200906699

upstream raw materials:

4-Chloro-3-methoxyphenol

dimethyl sulfate

4-Chlororesorcinol

1,3-Dimethoxybenzene

Downstream raw materials:

2-chloro-1-(5-chloro-2-hydroxy-4-methoxy-phenyl)-ethanone

ω-(2,4-Dimethoxy-5-chlorbenzoyl)-hexancarbonsaeure

1,3-dichloro-4,6-dimethoxybenzene

1,3-Dimethoxybenzene

Refernces

• 1、 Kang, Qi-Kai,Li, Ke,Li, Yuntong,Lin, Yunzhi,Shi, Hang,Xu, Lun. "Catalytic SNAr Hydroxylation and Alkoxylation of Aryl Fluorides". supporting information. p. 20391 - 20399. Retrieved 2021/08/13.
• 2、 Tang, Ren-Jin,Milcent, Thierry,Crousse, Benoit. "Regioselective Halogenation of Arenes and Heterocycles in Hexafluoroisopropanol". . p. 930 - 938. Retrieved 2018/01/28.