1-Chloro-2-(4-methylphenyl)ethyl thiocyanate

Base Information

• Chemical Name: 1-Chloro-2-(4-methylphenyl)ethyl thiocyanate
• CAS No.: 139489-22-8
• Molecular Formula: C10H10ClNS
• Molecular Weight: 211.715
• DSSTox Substance ID: DTXSID90577155
• Mol file: 139489-22-8.mol

Synonyms:139489-22-8;1-Chloro-2-(4-methylphenyl)ethyl thiocyanate;DTXSID90577155

Chemical Property of 1-Chloro-2-(4-methylphenyl)ethyl thiocyanate

Chemical Property:

• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 211.0222482
• Heavy Atom Count: 13
• Complexity: 190

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)CC(SC#N)Cl

Technology Process of 1-Chloro-2-(4-methylphenyl)ethyl thiocyanate

There total 3 articles about 1-Chloro-2-(4-methylphenyl)ethyl thiocyanate 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: 76.0%

chloroethylene (75-01-4,9002-86-2) + potassium thioacyanate (333-20-0) + 4-methylbenzenediazonium tetrafluoroborate (459-44-9) → 1-(2-Chloro-2-thiocyanato-ethyl)-4-methyl-benzene (139489-22-8)

Guidance literature:

With copper(II) thiocyanate; In water; acetone; at -15 - -5 ℃; for 2h;

DOI:10.1007/BF00778982

Reference yield: 76.0%

chloroethylene (75-01-4,9002-86-2) + potassium thioacyanate (333-20-0) + 4-methylbenzenediazonium tetrafluoroborate (459-44-9) → 4-tolyl thiocyanate (5285-74-5) + 1-(2-Chloro-2-thiocyanato-ethyl)-4-methyl-benzene (139489-22-8)

Guidance literature:

With copper(II) thiocyanate; In water; acetone; at -15 - -5 ℃; for 2h;

Reference yield:

2,2-dichloro-1-p-tolylethane (4412-40-2) + potassium thioacyanate (333-20-0) → 1-(2-Chloro-2-thiocyanato-ethyl)-4-methyl-benzene (139489-22-8)

Guidance literature:

In diethyl ether; for 20h; Heating;

upstream raw materials:

chloroethylene

potassium thioacyanate

4-methylbenzenediazonium tetrafluoroborate

2,2-dichloro-1-p-tolylethane

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