1-Cyclopropylmethanesulfonyl-4-methoxybenzene

Base Information

• Chemical Name: 1-Cyclopropylmethanesulfonyl-4-methoxybenzene
• CAS No.: 144461-21-2
• Molecular Formula: C11H14O3S
• Molecular Weight: 226.296
• DSSTox Substance ID: DTXSID201240431
• Mol file: 144461-21-2.mol

Synonyms:144461-21-2;1-Cyclopropylmethanesulfonyl-4-methoxybenzene;1-(Cyclopropylmethylsulfonyl)-4-methoxybenzene;Benzene, 1-[(cyclopropylmethyl)sulfonyl]-4-methoxy-;DTXSID201240431;1-Cyclopropylmethanesulfonyl-4-methoxy-benzene;1-[(Cyclopropylmethyl)sulfonyl]-4-methoxybenzene;A1-04278

Chemical Property of 1-Cyclopropylmethanesulfonyl-4-methoxybenzene

Chemical Property:

• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 226.06636548
• Heavy Atom Count: 15
• Complexity: 292

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)S(=O)(=O)CC2CC2

Technology Process of 1-Cyclopropylmethanesulfonyl-4-methoxybenzene

There total 2 articles about 1-Cyclopropylmethanesulfonyl-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: 83.0%

4-methoxy-phenyl-sulphonyl chloride (98-68-0) → cyclopropylmethyl 4-methoxyphenyl sulfone (144461-21-2)

Guidance literature:

In dichloromethane; at 25 ℃; for 3h; Irradiation;

Reference yield: 70.0%

4-methoxyphenylboronic acid (5720-07-0) + cyclopropylcarbinyl bromide (7051-34-5) → cyclopropylmethyl 4-methoxyphenyl sulfone (144461-21-2)

Guidance literature:

4-methoxyphenylboronic acid; With dichloro bis(acetonitrile) palladium(II); potassium pyrosulfite; tetrabutylammomium bromide; tert-butyl XPhos; In N,N-dimethyl-formamide; for 0.166667h; Inert atmosphere;

cyclopropylcarbinyl bromide; In N,N-dimethyl-formamide; at 85 ℃; for 22h; Inert atmosphere; Sealed tube;

DOI:10.1002/anie.201505918

upstream raw materials:

4-methoxy-phenyl-sulphonyl chloride

4-methoxyphenylboronic acid

cyclopropylcarbinyl bromide