4-(2-Chloroethyl)-1,2-dimethoxybenzene

Base Information

• Chemical Name: 4-(2-Chloroethyl)-1,2-dimethoxybenzene
• CAS No.: 27160-08-3
• Molecular Formula: C10H13 Cl O2
• Molecular Weight: 200.665
• Hs Code.: 2909309090
• European Community (EC) Number: 248-276-3
• DSSTox Substance ID: DTXSID70181633
• Nikkaji Number: J308.457D
• Wikidata: Q83052260
• Mol file: 27160-08-3.mol

Synonyms:4-(2-Chloroethyl)-1,2-dimethoxybenzene;27160-08-3;EINECS 248-276-3;Homoveratryl chloride;SCHEMBL1332082;3,4-dimethoxyphenethyl chloride;DTXSID70181633;VZGITQAWSRBJPP-UHFFFAOYSA-N;2-(3,4-dimethoxyphenyl)ethyl chloride;1-(3,4-dimethoxyphenyl)-2-chloroethane;2-(3,4-dimethoxyphenyl) ethyl chloride;2-(3,4-dimethoxyphenyl)-ethyl chloride;2-(3,4-dimethoxyphenyl)-ethyl-chloride;FT-0761129;EN300-6744069

Chemical Property of 4-(2-Chloroethyl)-1,2-dimethoxybenzene

Chemical Property:

• Vapor Pressure: 0.00653mmHg at 25°C
• Boiling Point: 280.2°Cat760mmHg
• Flash Point: 102.1°C
• PSA: 18.46000
• Density: 1.104g/cm³
• LogP: 2.48510
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 200.0604073
• Heavy Atom Count: 13
• Complexity: 141

Purity/Quality:

99% ^*data from raw suppliers

4-(2-CHLOROETHYL)-1,2-DIMETHOXYBENZENE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C(C=C1)CCCl)OC

Technology Process of 4-(2-Chloroethyl)-1,2-dimethoxybenzene

There total 8 articles about 4-(2-Chloroethyl)-1,2-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-(3,4-dimethoxyphenyl)ethyl alcohol (7417-21-2) → 2-(3,4-dimethoxyphenyl)-ethylchloride (27160-08-3)

Guidance literature:

With thionyl chloride; In chloroform; for 4h; Heating / reflux;

Reference yield:

methyl (3,4-dimethoxyphenyl)acetate (15964-79-1) → 2-(3,4-dimethoxyphenyl)-ethylchloride (27160-08-3)

Guidance literature:

Multi-step reaction with 2 steps

1: (i) LiAlH₄, Et₂O, (ii) aq. H₂SO₄

2: SOCl₂, PhNMe₂ / CHCl₃

With thionyl chloride; N,N-dimethyl-aniline; In chloroform;

DOI:10.1021/jo01065a014

Reference yield:

2-(3,4-dimethoxyphenyl)-ethylamine (120-20-7) → 2-(3,4-dimethoxyphenyl)-ethylchloride (27160-08-3)

Guidance literature:

Multi-step reaction with 2 steps

1: NaNO₂; aqueous acetic acid

2: tetrachloromethane; PCl₅

With tetrachloromethane; phosphorus pentachloride; acetic acid; sodium nitrite;

DOI:10.1021/ja01357a023

upstream raw materials:

N,N-diethylaniline

2-(3,4-dimethoxyphenyl)ethyl alcohol

2-(3,4-dimethoxyphenyl)-ethylamine

(3,4-Dimethoxyphenyl)acetic acid

Downstream raw materials:

1-(3,4-dimethoxy-phenethyl)-4-methyl-1H-pyridin-2-one

3,4-dihydropapaverine

2-(3,4-dimethoxyphenyl)-1-iodoethane

[1-(3,4-dimethoxy-phenethyl)-[4]piperidyl]-acetic acid ethyl ester

Refernces

• 1、 -. "PIPERIDINE AND PIPERAZINE DERIVATIVES". Page/Page column 27-28. . Retrieved 2008/12/08.