1-(2-Chloroethyl)-4-methoxybenzene

Base Information

• Chemical Name: 1-(2-Chloroethyl)-4-methoxybenzene
• CAS No.: 18217-00-0
• Molecular Formula: C9H11ClO
• Molecular Weight: 170.639
• Hs Code.: 29093090
• European Community (EC) Number: 242-099-5
• DSSTox Substance ID: DTXSID50171259
• Nikkaji Number: J73.128E
• Wikidata: Q83041349
• ChEMBL ID: CHEMBL299587
• Mol file: 18217-00-0.mol

Synonyms:1-(2-Chloroethyl)-4-methoxybenzene;18217-00-0;4-(2-Chloroethyl)anisole;Benzene, 1-(2-chloroethyl)-4-methoxy-;p-(2-Chloro)ethyl Anisole;4-(2-Chloroethyl)phenyl methyl ether;EINECS 242-099-5;1-(2-Chloro-ethyl)-4-methoxy-benzene;2-(4-Methoxyphenyl)-ethylchloride;4-methoxyphenethyl chloride;4-methoxyphenylethyl chloride;SCHEMBL365644;CHEMBL299587;4-methoxy-2-phenylethyl chloride;DTXSID50171259;p-methoxy-2-phenyl-ethyl chloride;2-(4-methoxyphenyl)ethyl chloride;1-(2-chloroethyl)4-methoxybenzene;1-(2-chloroethyl)4-methoxy benzene;MFCD00044718;STL141082;1-chloro-2-(4-methoxypheny)-ethane;AKOS000121622;1-chloro-2-(4-methoxy-phenyl)-ethane;AS-63183;C1680;FT-0608570;D89445;A852900;F0001-0658

Chemical Property of 1-(2-Chloroethyl)-4-methoxybenzene

Chemical Property:

• Appearance/Colour: light yellow syrup
• Vapor Pressure: 0.0368mmHg at 25°C
• Refractive Index: 1.536-1.538
• Boiling Point: 249.1 °C at 760 mmHg
• Flash Point: 108.7 °C
• PSA: 9.23000
• Density: 1.082 g/cm³
• LogP: 2.47650
• Storage Temp.: -20°C Freezer, Under Inert Atmosphere
• Solubility.: Acetone, Chloroform, Dichloromethane, Ether, Methanol
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 170.0498427
• Heavy Atom Count: 11
• Complexity: 97.7

Purity/Quality:

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

p-(2-Chloro)ethylAnisole ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 68-36/37-22
• Safety Statements: 36/37-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)CCCl
• Uses: p-(2-Chloro)ethyl Anisole (cas# 18217-00-0) is a compound useful in organic synthesis.

Technology Process of 1-(2-Chloroethyl)-4-methoxybenzene

There total 19 articles about 1-(2-Chloroethyl)-4-methoxybenzene 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: 87.0%

4-Methoxyphenylacetic acid (104-01-8) → 1-(2-Chloroethyl)-4-methoxybenzene (18217-00-0)

Guidance literature:

With gallium(III) trichloride; Hexamethyldisiloxane; copper dichloride; In 1,2-dichloro-ethane; at 20 ℃; for 3h; Sealed tube; Inert atmosphere;

DOI:10.1021/jo501912v

Reference yield: 87.0%

2-(4-Methoxyphenyl)ethanol (702-23-8) → 1-(2-Chloroethyl)-4-methoxybenzene (18217-00-0)

Guidance literature:

With phosphorus pentachloride; calcium carbonate; In toluene; at 0 - 20 ℃; for 3.66667h; Inert atmosphere;

DOI:10.1016/j.ejmech.2017.09.021

Reference yield: 82.0%

1-Tosyl-1-<2-(4-methoxyphenyl)ethyl>hydrazine (141666-87-7) → p-toluenesulfonyl chloride (98-59-9) + 1-(2-Chloroethyl)-4-methoxybenzene (18217-00-0)

Guidance literature:

With N-chloro-succinimide; In tetrahydrofuran; for 16h; Ambient temperature; Irradiation;

DOI:10.1016/0040-4039(94)80009-X

upstream raw materials:

2-(4-Methoxyphenyl)ethanol

2-chloroethyl tosylate

4-methoxyphenyl magnesium bromide

2-(p-methoxyphenyl)ethyl toluene-p-sulphonate

Downstream raw materials:

4-Methoxystyrene

1,4-bis(4-methoxyphenyl)butane

4-Methoxyphenethylamine

1-(4-methoxyphenyl)-2-phenylethane

Refernces

• 1、 Yang, Yi,Cai, Junjie,Luo, Gen,Tong, Xia,Su, Yumei,Jiang, Yan,Liu, Yingle,Zheng, Yubin,Zeng, Jijiao,Li, Chaolin. "Selective activation of 1,2-dichloroethane for access to β-chloroethylarenes enabled by nickel-catalyzed suzuki-type couplings". supporting information. p. 1130 - 1134. Retrieved 2019/03/26.
• 2、 Blaess, Markus,Bibak, Nelly,Claus, Ralf A.,Kohl, Matthias,Bonaterra, Gabriel A.,Kinscherf, Ralf,Laufer, Stefan,Deigner, Hans-Peter. "NB 06: From a simple lysosomotropic aSMase inhibitor to tools for elucidating the role of lysosomes in signaling apoptosis and LPS-induced inflammation". supporting information. p. 73 - 104. Retrieved 2017/10/17.