1,3-Diethyl-2-isothiocyanato-5-methylbenzene

Base Information

• Chemical Name: 1,3-Diethyl-2-isothiocyanato-5-methylbenzene
• CAS No.: 66609-05-0
• Molecular Formula: C12H15NS
• Molecular Weight: 205.324
• DSSTox Substance ID: DTXSID001255917

Synonyms:1,3-diethyl-2-isothiocyanato-5-methylbenzene;66609-05-0;SCHEMBL11421497;LTMAEDFDVJOQSP-UHFFFAOYSA-N;DTXSID001255917;4-methyl-2,6-diethyl-phenyl isothiocyanate

Chemical Property of 1,3-Diethyl-2-isothiocyanato-5-methylbenzene

Chemical Property:

• XLogP3: 5.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 205.09252066
• Heavy Atom Count: 14
• Complexity: 206

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCC1=CC(=CC(=C1N=C=S)CC)C

Technology Process of 1,3-Diethyl-2-isothiocyanato-5-methylbenzene

There total 2 articles about 1,3-Diethyl-2-isothiocyanato-5-methylbenzene 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:

thiophosgene (463-71-8) + 2-ethyl-4,6-dimethylaniline (40813-98-7) → 2,6-diethyl-4-methyl-phenyl isothiocyanate (66609-05-0)

Guidance literature:

With calcium carbonate; In dichloromethane; water;

Reference yield:

thiophosgene (463-71-8) + 2,6-diethyl-4-methylaniline (24544-08-9) → 2,6-diethyl-4-methyl-phenyl isothiocyanate (66609-05-0)

Guidance literature:

With calcium carbonate; In dichloromethane; water;

Reference yield:

2,6-diethyl-4-methyl-phenyl isothiocyanate (66609-05-0) + tert-butylamine (75-64-9) → N-(4-methyl-2,6-diethyl-phenyl)-N'-tert.-butyl-thiourea (66608-97-7)

Guidance literature:

upstream raw materials:

thiophosgene

2,6-diethyl-4-methylaniline

2-ethyl-4,6-dimethylaniline

Downstream raw materials:

1-sec-Butyl-3-(2,6-diethyl-4-methyl-phenyl)-thiourea

1-(2,6-Diethyl-4-methyl-phenyl)-3-(1,3-dimethyl-butyl)-thiourea

N-(4-Methyl-2.6-diaethyl-phenyl)-N'-tert.-pentyl-thioharnstoff

N-(4-Methyl-2,6-diaethylphenyl)-N'-neopentylthioharnstoff

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