Thiourea, N-(1,1-dimethylethyl)-N'-phenyl-

Base Information

• Chemical Name: Thiourea, N-(1,1-dimethylethyl)-N'-phenyl-
• CAS No.: 14327-04-9
• Molecular Formula: C11H16 N2 S
• Molecular Weight: 208.327
• Hs Code.: 2930909090
• NSC Number: 131985
• DSSTox Substance ID: DTXSID20162376
• Nikkaji Number: J117.419C
• Mol file: 14327-04-9.mol

Synonyms:1-tert-butyl-3-phenylthiourea;14327-04-9;Thiourea, N-(1,1-dimethylethyl)-N'-phenyl-;Urea, 1-tert-butyl-3-phenyl-2-thio-;Thiourea,N-(1,1-dimethylethyl)-N'-phenyl-;NSC131985;CBMicro_003817;[(tert-butyl)amino](phenylamino)methane-1-thione;SCHEMBL3067730;DTXSID20162376;N-phenyl-N'-(t-butyl) thiourea;1-(tert-Butyl)-3-phenylthiourea;JHMCTNQTJNGVRX-UHFFFAOYSA-N;SMSF0003195;MFCD00466450;STK092726;N-(tert-Butyl)-N'-phenylthiourea #;3-TERT-BUTYL-1-PHENYLTHIOUREA;AKOS000487851;Thiourea,1-dimethylethyl)-N'-phenyl-;CB05612;NSC 131985;NSC-131985;1-TERT-BUTYL-3-PHENYL-THIOUREA;BIM-0003530.P001;CS-0334117;SR-01000254272;SR-01000254272-1

Chemical Property of Thiourea, N-(1,1-dimethylethyl)-N'-phenyl-

Chemical Property:

• Vapor Pressure: 0.00254mmHg at 25°C
• Boiling Point: 287.1°Cat760mmHg
• Flash Point: 127.4°C
• PSA: 56.15000
• Density: 1.103g/cm³
• LogP: 3.23540
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 208.10341969
• Heavy Atom Count: 14
• Complexity: 190

Purity/Quality:

98%min ^*data from raw suppliers

1-tert-butyl-3-phenylthiourea ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)NC(=S)NC1=CC=CC=C1

Technology Process of Thiourea, N-(1,1-dimethylethyl)-N'-phenyl-

There total 5 articles about Thiourea, N-(1,1-dimethylethyl)-N'-phenyl- 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: 99.0%

phenyl isothiocyanate (103-72-0) + tert-butylamine (75-64-9) → N-tert-butyl-N'-phenylthiourea (14327-04-9)

Guidance literature:

With [{Ph₂P(Se)NCH₂CH₂NPPh₂(Se)}Ti(NMe₂)₂]; In toluene; at 25 ℃; for 1h; Schlenk technique; Glovebox; Inert atmosphere;

DOI:10.1039/c6dt03063g

Reference yield: 77.0%

phenyldithiocarbamic acid triethylamine salt (43009-16-1) + tert-butylamine (75-64-9) → N-tert-butyl-N'-phenylthiourea (14327-04-9)

Guidance literature:

With ammonium cerium (IV) nitrate; oxygen; In acetonitrile; at 20 ℃; for 12h;

DOI:10.1039/c4ra04628e

Reference yield: 53.0%

tert-butylisonitrile (119072-55-8,7188-38-7) + aniline (62-53-3) → N-tert-butyl-N'-phenylthiourea (14327-04-9)

Guidance literature:

With tert.-butylhydroperoxide; sodium carbonate; sulfur; cobalt acetylacetonate; In 1,4-dioxane; at 75 ℃; for 1h; Reagent/catalyst; Solvent; Catalytic behavior; Sonication;

DOI:10.1002/adsc.201300745

upstream raw materials:

phenyl isothiocyanate

tert-butylamine

tert-butyl isothiocyanate

aniline

Downstream raw materials:

2-hydroxypyridin

N-((tert-butylimino)methylene)aniline

1,5-Di-tert-butyl-3-phenyl-[1,3,5]triazinane-2-thione

N-tert-butyl-S-methyl-N'-phenylisothiourea

Refernces

• 1、 Zhu, Xiancui,Xu, Mengchen,Sun, Jinrong,Guo, Dianjun,Zhang, Yiwei,Zhou, Shuangliu,Wang, Shaowu. "Hydroamination and Hydrophosphination of Isocyanates/Isothiocyanates under Catalyst-Free Conditions". . p. 5213 - 5218. Retrieved 2021/10/19.
• 2、 Harinath, Adimulam,Bano, Kulsum,Ahmed, Shakil,Panda, Tarun K.. "2-Picolylamino(diphenylphosphinoselenoic)amide supported zinc complexes: Efficient catalyst for insertion of N–H bond into carbodiimides, isocyanates, and isothiocyanate". supporting information. p. 23 - 32. Retrieved 2017/09/25.