1-(Ethenylsulfanyl)-4-methoxybenzene

Base Information

• Chemical Name: 1-(Ethenylsulfanyl)-4-methoxybenzene
• CAS No.: 16411-17-9
• Molecular Formula: C9H10OS
• Molecular Weight: 166.244
• DSSTox Substance ID: DTXSID40493715
• Nikkaji Number: J376.755H
• Wikidata: Q82340615
• Mol file: 16411-17-9.mol

Synonyms:1-ethenylsulfanyl-4-methoxybenzene;1-(Ethenylsulfanyl)-4-methoxybenzene;16411-17-9;SCHEMBL11319695;DTXSID40493715

Chemical Property of 1-(Ethenylsulfanyl)-4-methoxybenzene

Chemical Property:

• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 166.04523611
• Heavy Atom Count: 11
• Complexity: 117

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)SC=C

Technology Process of 1-(Ethenylsulfanyl)-4-methoxybenzene

There total 10 articles about 1-(Ethenylsulfanyl)-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: 95.0%

1-bromo-4-methoxy-benzene (104-92-7) + 2,2-diphenyl-1,3-oxathiolane (33735-40-9) → (4-methoxyphenyl)(vinyl)sulfane (16411-17-9)

Guidance literature:

With palladium [2'-(amino-κN)[1,1'-biphenyl]-2-yl-κC][[5-(diphenylphosphino)-9,9-dimethyl-9H-xanthen-4-yl]diphenylphosphine-κP](methanesulfonato-κO); potassium tert-butylate; at 70 ℃; for 22h;

DOI:10.1021/acs.orglett.6b03249

Reference yield: 81.0%

2,2-dimethyl-1,3-oxathiolane (5684-31-1) + 1-bromo-4-methoxy-benzene (104-92-7) → (4-methoxyphenyl)(vinyl)sulfane (16411-17-9)

Guidance literature:

With 18-crown-6 ether; Xantphos-Pd-G₃; potassium tert-butylate; at 70 ℃; for 12h;

DOI:10.1021/acs.orglett.6b03249

Reference yield:

2,2-dimethyl-1,3-oxathiolane (5684-31-1) + 1-bromo-4-methoxy-benzene (104-92-7) → (4-methoxyphenyl)(vinyl)sulfane (16411-17-9) + bis(4-methoxyphenyl)sulfide (3393-77-9)

Guidance literature:

With 18-crown-6 ether; Xantphos-Pd-G₃; potassium tert-butylate; at 70 ℃; for 48h;

DOI:10.1021/acs.orglett.6b03249

upstream raw materials:

1-(2-chloro-ethylsulfanyl)-4-methoxy-benzene

4-Methoxybenzenethiol

ethene

2-chloroethyl thiocyanate

Downstream raw materials:

3-(4-Methoxy-phenylsulfanyl)-cyclobutane-1,1,2,2-tetracarbonitrile

(+)-(R)-Ethyl p-Methoxyphenyl Sulfoxide

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