N-Benzyl-N'-tert-butylthiourea

Base Information

• Chemical Name: N-Benzyl-N'-tert-butylthiourea
• CAS No.: 14327-01-6
• Molecular Formula: C12H18N2S
• Molecular Weight: 222.354
• DSSTox Substance ID: DTXSID20350276
• Nikkaji Number: J2.162.511F
• Wikidata: Q82126131
• Mol file: 14327-01-6.mol

Synonyms:14327-01-6;HMS1545K04;ST056035;1-benzyl-3-t-butylthiourea;TimTec1_004096;SCHEMBL11503706;DTXSID20350276;RLTDXTUGGXRDEW-UHFFFAOYSA-N;AKOS003349448;BRD-K36257295-001-01-1

Chemical Property of N-Benzyl-N'-tert-butylthiourea

Chemical Property:

• XLogP3: 2.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 222.11906976
• Heavy Atom Count: 15
• Complexity: 202

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)NC(=S)NCC1=CC=CC=C1

Technology Process of N-Benzyl-N'-tert-butylthiourea

There total 4 articles about N-Benzyl-N'-tert-butylthiourea 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: 100.0%

tert-butyl isothiocyanate (590-42-1) + benzylamine (100-46-9) → 1-t-butyl-3-benzylthiocarbamide (14327-01-6)

Guidance literature:

In dichloromethane; at 20 ℃; for 4h;

DOI:10.1002/chem.200400973

Reference yield: 89.0%

tert-butylisonitrile (119072-55-8,7188-38-7) + benzylamine (100-46-9) → 1-t-butyl-3-benzylthiocarbamide (14327-01-6)

Guidance literature:

With N,N,N',N'',N'''-pentamethyldiethylenetriamine; water; sulfur; at 80 ℃; for 2h;

DOI:10.1002/open.202000250

Reference yield:

N-tert-butyl-S-chloroisothiocarbamoyl chloride → 1-t-butyl-3-benzylthiocarbamide (14327-01-6)

Guidance literature:

Multi-step reaction with 2 steps

1: 35.8 percent / benzene / 36 h / 10 - 15 °C

2: ethanol / Heating

In ethanol; benzene;

upstream raw materials:

tert-butyl isothiocyanate

benzylamine

3-tert-butylimino-4-p-tolyl-5-p-tolylimino-1,2,4-dithiazolidine

tert-butylisonitrile

Downstream raw materials:

N-((benzylimino)methylene)-2-methylpropan-2-amine

N-Benzyl-N'-tert-butyl-isothioharnstoff-S-methylaether

N-benzylthiourea