1,1-Diethyl-3-phenylthiourea

Base Information

• Chemical Name: 1,1-Diethyl-3-phenylthiourea
• CAS No.: 7442-11-7
• Molecular Formula: C11H16N2S
• Molecular Weight: 208.327
• NSC Number: 131971
• UNII: 25BSD7H9M6
• DSSTox Substance ID: DTXSID60225434
• Nikkaji Number: J958.719E
• Mol file: 7442-11-7.mol

Synonyms:1,1-Diethyl-3-phenylthiourea;Diethylphenylthiourea;7442-11-7;N,N-diethyl-N'-phenylthiourea;NSC131971;diethylphenyl-thiourea;WLN: SUYMR&N2&2;1-Phenyl-3,3-diethylthiourea;SCHEMBL5444750;Thiourea,N-diethyl-N'-phenyl-;DTXSID60225434;Urea,1-diethyl-3-phenyl-2-thio-;Thiourea, N,N-diethyl-N'-phenyl-;AKOS003720967;NSC 131971;NSC-131971;Urea, 1,1-diethyl-3-phenyl-2-thio-;Thiourea, N,N-diethyl-N'-phenyl- (9CI)

Chemical Property of 1,1-Diethyl-3-phenylthiourea

Chemical Property:

• Vapor Pressure: 0.00241mmHg at 25°C
• Boiling Point: 288°Cat760mmHg
• Flash Point: 128°C
• Density: 1.113g/cm³
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 208.10341969
• Heavy Atom Count: 14
• Complexity: 172

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1,1-Diethyl-3-phenylthiourea

There total 8 articles about 1,1-Diethyl-3-phenylthiourea 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: 96.0%

phenyl isothiocyanate (103-72-0) + diethylamine (109-89-7) → N,N-diethyl-N'-phenylthiourea (7442-11-7)

Guidance literature:

In tetrahydrofuran; at 20 ℃; for 6h;

DOI:10.3390/molecules20047174

Reference yield: 87.0%

diethylamine (109-89-7) + N,N-diphenylthiourea (102-08-9) → N,N-diethyl-N'-phenylthiourea (7442-11-7)

Guidance literature:

With triethylamine; In acetonitrile; for 1.5h; Heating;

DOI:10.1016/0040-4039(93)85067-7

Reference yield: 87.0%

carbon disulfide (75-15-0,12122-00-8) + diethylamine (109-89-7) + aniline (62-53-3) → N,N-diethyl-N'-phenylthiourea (7442-11-7)

Guidance literature:

carbon disulfide; diethylamine; In neat (no solvent); at 160 ℃; for 0.0833333h; Microwave irradiation; Green chemistry;

aniline; at 20 ℃; for 0.0833333h; Solvent; Microwave irradiation; Green chemistry;

DOI:10.1039/c3ra46270f

upstream raw materials:

phenyl isothiocyanate

diethylamine

N,N-Diethyl-2-methyl-1-propen-1-amin

N,N-diphenylthiourea

Downstream raw materials:

N,N-diethylbenzo[d]thiazol-2-amine

O-ethyl-N-phenylthiocarbamate

O-cyclohexyl N-phenylcarbamothioate

O-butyl N-phenylcarbamothioate

Refernces

• 1、 Louren?o, André Luiz,Saito, Max Seidy,Dorneles, Luís Eduardo Gomes,Viana, Gil Mendes,Sathler, Plínio Cunha,De Aguiar, Lúcia Cruz Sequeira,De Pádula, Marcelo,Domingos, Thaisa Francielle Souza,Fraga, Aline Guerra Manssour,Rodrigues, Carlos Rangel,DeSousa, Valeria Pereira,Castro, Helena Carla,Cabral, Lucio Mendes. "Synthesis and antiplatelet activity of antithrombotic thiourea compounds: Biological and structure-activity relationship studies". . p. 7174 - 7200. Retrieved 2015/05/06.
• 2、 Chau, Chi-Min,Chuan, Tzu-Jung,Liu, Kuan-Miao. "A highly efficient one-pot method for the synthesis of thioureas and 2-imino-4-thiazolidinones under microwave conditions". . p. 1276 - 1282. Retrieved 2014/01/06.