1-Phenyl-3-o-tolyl-thiourea

Base Information

• Chemical Name: 1-Phenyl-3-o-tolyl-thiourea
• CAS No.: 1215-77-6
• Molecular Formula: C14H14 N2 S
• Molecular Weight: 242.345
• NSC Number: 37120
• DSSTox Substance ID: DTXSID30923834
• Nikkaji Number: J958.715B
• ChEMBL ID: CHEMBL1541157
• Mol file: 1215-77-6.mol

Synonyms:1215-77-6;1-Phenyl-3-o-tolyl-thiourea;NSC37120;N-phenyl-N'-tolylthiourea;MLS001202800;SCHEMBL7760696;CHEMBL1541157;DTXSID30923834;JMMWMCXMSYXCNN-UHFFFAOYSA-N;HMS2849L14;1-Phenyl-3-(O-tolyl)-2-thiourea;NSC-37120;AKOS000567139;N-(2-Methylphenyl)-N'-phenylthiourea #;SMR000518693;N-(2-Methylphenyl)-N'-phenylcarbamimidothioic acid

Chemical Property of 1-Phenyl-3-o-tolyl-thiourea

Chemical Property:

• Vapor Pressure: 2.6E-05mmHg at 25°C
• Boiling Point: 358.1°Cat760mmHg
• Flash Point: 170.4°C
• Density: 1.249g/cm³
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 242.08776963
• Heavy Atom Count: 17
• Complexity: 249

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=CC=C1NC(=S)NC2=CC=CC=C2

Technology Process of 1-Phenyl-3-o-tolyl-thiourea

There total 15 articles about 1-Phenyl-3-o-tolyl-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: 99.0%

phenyl isothiocyanate (103-72-0) + o-toluidine (95-53-4) → 1-phenyl 3-o-tolylthiocarbamide (1215-77-6)

Guidance literature:

With C₆₄H₅₂CaN₆; In neat (no solvent); at 60 ℃; for 12h; Schlenk technique; Glovebox; Inert atmosphere;

DOI:10.1039/d0nj01509a

Reference yield: 96.0%

aniline (62-53-3) + 2-tolyl isothiocyanate (614-69-7) → 1-phenyl 3-o-tolylthiocarbamide (1215-77-6)

Guidance literature:

In neat (no solvent); at 20 ℃; for 0.166667h; Schlenk technique; Green chemistry;

DOI:10.1002/ejoc.202100932

Reference yield: 90.0%

N,N-diphenylthiourea (102-08-9) + o-toluidine (95-53-4) → 1-phenyl 3-o-tolylthiocarbamide (1215-77-6)

Guidance literature:

With triethylamine; In acetonitrile; for 2.5h; Heating;

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

upstream raw materials:

N,N'-di(o-tolyl)thiourea

1,1-diphenylthiourea

N,N-di-o-tolylthiourea

phenyl isothiocyanate

Downstream raw materials:

2-(4-methyl-benzothiazol-2-yl)-aniline

N,N',N''-tri(2-tolyl)guanidine

N,N'-bis(2-methylphenyl)-N'-phenylguanidine

N,N'-diphenyl-N''-o-tolyl-guanidine

Refernces

• 1、 Bano, Kulsum,Anga, Srinivas,Jain, Archana,Nayek, Hari Pada,Panda, Tarun K.. "Hydroamination of isocyanates and isothiocyanates by alkaline earth metal initiators supported by a bulky iminopyrrolyl ligand". supporting information. p. 9419 - 9428. Retrieved 2020/06/17.
• 2、 Bhattacharjee, Jayeeta,Harinath, Adimulam,Banerjee, Indrani,Nayek, Hari Pada,Panda, Tarun K.. "Highly Active Dinuclear Titanium(IV) Complexes for the Catalytic Formation of a Carbon-Heteroatom Bond". supporting information. p. 12610 - 12623. Retrieved 2018/10/09.