1-(1-Chloroethyl)-3-methoxybenzene

Base Information

• Chemical Name: 1-(1-Chloroethyl)-3-methoxybenzene
• CAS No.: 58114-05-9
• Molecular Formula: C9H11ClO
• Molecular Weight: 170.639
• European Community (EC) Number: 842-176-9
• DSSTox Substance ID: DTXSID30511730
• Mol file: 58114-05-9.mol

Synonyms:1-(1-chloroethyl)-3-methoxybenzene;58114-05-9;SCHEMBL1588867;DTXSID30511730;YOANFEVQVLUDDA-UHFFFAOYSA-N;1-chlor-1-(3'-methoxyphenyl)-ethane;CS-0264837;EN300-94815

Chemical Property of 1-(1-Chloroethyl)-3-methoxybenzene

Chemical Property:

• PSA: 9.23000
• LogP: 2.99500
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 170.0498427
• Heavy Atom Count: 11
• Complexity: 116

Purity/Quality:

98.5% ^*data from raw suppliers

1-(1-chloroethyl)-3-methoxybenzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-(1-Chloroethyl)-3-methoxybenzene

There total 5 articles about 1-(1-Chloroethyl)-3-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: 95.0%

3-methoxystyrene (626-20-0) → 1-chloro-1-(3'-methoxyphenyl)ethane (58114-05-9)

Guidance literature:

With hydrogenchloride; 1,3-dimethyl-3,4,5,6-tetrahydro-2(1H)-pyrimidinone; acetic acid; at 20 ℃; regioselective reaction;

DOI:10.1039/c7gc03665e

Reference yield: 73.0%

1-(3-methoxy)-phenylethanol (89691-63-4,120523-12-8,129940-69-8,23308-82-9) → 1-chloro-1-(3'-methoxyphenyl)ethane (58114-05-9)

Guidance literature:

With hydrogenchloride; In Petroleum ether; at -5 ℃;

DOI:10.1021/jm00142a014

Reference yield: 59.0%

→ 1-chloro-1-(3'-methoxyphenyl)ethane (58114-05-9)

Guidance literature:

upstream raw materials:

1-(3-methoxy)-phenylethanol

3-methoxy-benzaldehyde

1-(3-Methoxyphenyl)ethanone

3-methoxystyrene

Downstream raw materials:

1-(3-methoxy)-phenylethanol

(+/-)-1-(3-methoxyphenyl)ethyl acetate

3,3'-(butane-2,3-diyl)bis(methoxybenzene)

1-[1-(3-methoxy-phenyl)-ethyl]-4-methyl-piperazine