1-(Benzylideneamino)-3-phenylthiourea

Base Information

• Chemical Name: 1-(Benzylideneamino)-3-phenylthiourea
• CAS No.: 13456-63-8
• Molecular Formula: C14H13 N3 S
• Molecular Weight: 255.343
• NSC Number: 529369
• DSSTox Substance ID: DTXSID60419871
• Nikkaji Number: J570.735H
• Mol file: 13456-63-8.mol

Synonyms:NSC529369;13456-63-8;DTXSID60419871;1-(benzylideneamino)-3-phenylthiourea;NSC-529369

Chemical Property of 1-(Benzylideneamino)-3-phenylthiourea

Chemical Property:

• Vapor Pressure: 2.56E-06mmHg at 25°C
• Boiling Point: 390.9°C at 760 mmHg
• Flash Point: 190.2°C
• Density: 1.14g/cm³
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 255.08301860
• Heavy Atom Count: 18
• Complexity: 279

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C=NNC(=S)NC2=CC=CC=C2
• Isomeric SMILES: C1=CC=C(C=C1)/C=N\NC(=S)NC2=CC=CC=C2

Technology Process of 1-(Benzylideneamino)-3-phenylthiourea

There total 16 articles about 1-(Benzylideneamino)-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: 87.0%

benzaldehyde (100-52-7) + phenyl isothiocyanate (103-72-0) + hydrazine (302-01-2,78206-91-4,119775-10-9,75013-58-0) → 1-benzylidene-4-phenylthiosemicarbazide (13456-63-8)

Guidance literature:

In methanol; for 24h; Reflux;

DOI:10.1016/j.tetlet.2009.02.134

Reference yield: 81.0%

benzaldehyde, hydrazone (5281-18-5) + phenyl isothiocyanate (103-72-0) → 1-benzylidene-4-phenylthiosemicarbazide (13456-63-8)

Guidance literature:

In ethanol; Heating; slightly acidic pH value;

Reference yield: 78.0%

2,4-diphenyl-3-azabicyclo[3.3.1]nonan-9-one (34025-58-6,56479-38-0,56613-79-7,57794-27-1,93921-25-6,104873-86-1) + 4-Phenyl-3-thiosemicarbazide (5351-69-9) → C27H28N4S (1309865-05-1) + 1-benzylidene-4-phenylthiosemicarbazide (13456-63-8)

Guidance literature:

In ethanol; chloroform; at 90 - 100 ℃; for 96h; Acidic conditions;

DOI:10.3109/14756366.2010.525508

upstream raw materials:

benzaldehyde

4-Phenyl-3-thiosemicarbazide

ethanol

benzaldehyde, hydrazone

Downstream raw materials:

4-amino-1-benzoyl-2,7-dinitro-4'-phenylspiro(fluoren-9,3'-[1,2,4]triazolidine)-5'-thione

phenyl-(5-phenyl-3H-[1,3,4]thiadiazol-2-ylidene)amine

4-amino-2,7-dinitro-9-fluorenone

(1-benzoyl-4-phenyl-3-thioxo-1,2,4-triazaspiro[4.5]deca-6,9-dien-8-ylidene)malononitrile

Refernces

• 1、 Han, Yingzhi,Sun, Yadong,Abdukader, Ablimit,Liu, Bifu,Wang, Duozhi. "PhI-Catalyzed Intramolecular Oxidative Coupling Toward Synthesis of 2-Amino-1,3,4-Thiadizoles". . p. 3486 - 3491. Retrieved 2018/09/27.
• 2、 Pfeiffer, Wolf-Diethard,Junghans, Dieter,Saghyan, Ashot S.,Langer, Peter. "Cyclization of 4-phenylthiosemicarbazide with phenacylbromide revisited. Formation of 1,3,4-thiadiazines and of isomeric 1,3-thiazoles". . p. 1063 - 1067. Retrieved 2014/08/05.