1-Tert-butyl-3-(2-methylphenyl)thiourea

Base Information

• Chemical Name: 1-Tert-butyl-3-(2-methylphenyl)thiourea
• CAS No.: 14327-05-0
• Molecular Formula: C₁₂H₁₈N₂S
• Molecular Weight: 222.354
• DSSTox Substance ID: DTXSID301230914
• Mol file: 14327-05-0.mol

Synonyms:1-tert-butyl-3-(2-methylphenyl)thiourea;DTXSID301230914;STK144490;AKOS003718066;14327-05-0;SR-01000254378;N-(1,1-Dimethylethyl)-N'-(2-methylphenyl)thiourea;SR-01000254378-1

Chemical Property of 1-Tert-butyl-3-(2-methylphenyl)thiourea

Chemical Property:

• XLogP3: 2.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 222.11906976
• Heavy Atom Count: 15
• Complexity: 220

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC=CC=C1NC(=S)NC(C)(C)C

Technology Process of 1-Tert-butyl-3-(2-methylphenyl)thiourea

There total 2 articles about 1-Tert-butyl-3-(2-methylphenyl)thiourea 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: 36.0%

tert-butylisonitrile (119072-55-8,7188-38-7) + o-toluidine (95-53-4) → 1-tert-butyl-3-o-tolylthiourea (14327-05-0)

Guidance literature:

With tert.-butylhydroperoxide; sodium carbonate; sulfur; cobalt acetylacetonate; In 1,4-dioxane; at 75 ℃; for 1h; Sonication;

DOI:10.1002/adsc.201300745

Reference yield:

tert-butyl isothiocyanate (590-42-1) + o-toluidine (95-53-4) → 1-tert-butyl-3-o-tolylthiourea (14327-05-0)

Guidance literature:

In benzene; Heating;

Reference yield:

1-tert-butyl-3-o-tolylthiourea (14327-05-0) → o-tolylthiourea (614-78-8)

Guidance literature:

With hydrogenchloride; Heating;

upstream raw materials:

tert-butyl isothiocyanate

o-toluidine

tert-butylisonitrile

Downstream raw materials:

o-tolylthiourea