1-(3-Chloro-3-methylbutyl)-4-methoxybenzene

Base Information

• Chemical Name: 1-(3-Chloro-3-methylbutyl)-4-methoxybenzene
• CAS No.: 23020-47-5
• Molecular Formula: C12H17ClO
• Molecular Weight: 212.719
• DSSTox Substance ID: DTXSID001261461
• Nikkaji Number: J807.633B
• Mol file: 23020-47-5.mol

Synonyms:1-(3-chloro-3-methylbutyl)-4-methoxybenzene;23020-47-5;DTXSID001261461;3-methyl-1-(p-methoxyphenyl)-3-chloro-butane;4-(3-chloro-3-methylbutyl)phenyl methyl ether

Chemical Property of 1-(3-Chloro-3-methylbutyl)-4-methoxybenzene

Chemical Property:

• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 212.0967929
• Heavy Atom Count: 14
• Complexity: 160

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(CCC1=CC=C(C=C1)OC)Cl

Technology Process of 1-(3-Chloro-3-methylbutyl)-4-methoxybenzene

There total 4 articles about 1-(3-Chloro-3-methylbutyl)-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: 91.0%

3-hydroxy-1-(4-methoxyphenyl)-3-methylbutane (14305-29-4) → 3-chloro-1-(4-methoxyphenyl)-3-methylbutane (23020-47-5)

Guidance literature:

With hydrogenchloride; lithium chloride; at 0 - 20 ℃; for 12h;

DOI:10.1021/ja505199u

Reference yield: 84.0%

p-methoxybenzyl chloride (824-94-2) + isobutene (115-11-7,15220-85-6) → 3-chloro-1-(4-methoxyphenyl)-3-methylbutane (23020-47-5)

Guidance literature:

zinc chloride diethyl ether; In dichloromethane; at -78 ℃;

DOI:10.1016/S0040-4039(00)88476-2

Reference yield:

4-(4-methoxyphenyl)-2-butanone (104-20-1) → 3-chloro-1-(4-methoxyphenyl)-3-methylbutane (23020-47-5)

Guidance literature:

Multi-step reaction with 2 steps

1: tetrahydrofuran; diethyl ether / 2 h / 20 °C

2: lithium chloride; hydrogenchloride / 12 h / 0 - 20 °C

With hydrogenchloride; lithium chloride; In tetrahydrofuran; diethyl ether;

DOI:10.1021/ja505199u

upstream raw materials:

3-hydroxy-1-(4-methoxyphenyl)-3-methylbutane

methoxybenzene

isoprene

p-methoxybenzyl chloride

Downstream raw materials:

dihydro-5,5-dimethyl-2(3H)-furanone

1-methoxy-4-(3-methyl-but-2-enyl)benzene

3-hydroxy-1-(4-methoxyphenyl)-3-methylbutane

1-methoxy-4-(3-methylbut-3-en-1-yl)benzene