4,4-Diphenylsemicarbazide

Base Information

• Chemical Name: 4,4-Diphenylsemicarbazide
• CAS No.: 603-51-0
• Molecular Formula: C13H13 N3 O
• Molecular Weight: 227.266
• Hs Code.: 2928000090
• European Community (EC) Number: 210-046-5
• NSC Number: 47698,8717
• UNII: QA7TGP7XIR
• DSSTox Substance ID: DTXSID8060531
• Nikkaji Number: J134.756J
• Wikidata: Q81989114
• Mol file: 603-51-0.mol

Synonyms:4,4-Diphenylsemicarbazide;603-51-0;N,N-Diphenylhydrazinecarboxamide;3-amino-1,1-diphenylurea;Hydrazinecarboxamide, N,N-diphenyl-;Semicarbazide, 4,4-diphenyl-;QA7TGP7XIR;NSC 8717;NSC-8717;EINECS 210-046-5;NSC 47698;NSC-47698;AI3-52365;Semicarbazide,4-diphenyl-;Hydrazinecarboxamide,N-diphenyl-;UNII-QA7TGP7XIR;4.4-Diphenylsemicarbazide;4,4-diphenylsemicar-bazide;3-amino-1,1-diphenyl-urea;SCHEMBL6889531;DTXSID8060531;NSC8717;N,N-Diphenylhydrazinecarboxamide #;NSC47698;MFCD00007592;AKOS015916518;CS-0286897;FT-0617101;EN300-196687;A917886

Chemical Property of 4,4-Diphenylsemicarbazide

Chemical Property:

• Melting Point: 151-152 °C(lit.)
• Refractive Index: 1.5600 (estimate)
• Boiling Point: 368.98°C (rough estimate)
• PSA: 58.36000
• Density: 1.237g/cm³
• LogP: 3.49920
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 227.105862047
• Heavy Atom Count: 17
• Complexity: 227

Purity/Quality:

97% ^*data from raw suppliers

N,N-diphenylhydrazinecarboxamide AldrichCPR ^*data from reagent suppliers

Safty Information:

• Safety Statements: S24/25:Avoid contact with skin and eyes.

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)N(C2=CC=CC=C2)C(=O)NN

Technology Process of 4,4-Diphenylsemicarbazide

There total 6 articles about 4,4-Diphenylsemicarbazide 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:

diphenylcarbamic chloride (83-01-2) → N,N-diphenyl semicarbazide (603-51-0)

Guidance literature:

With ethanol; hydrazine hydrate;

DOI:10.1111/1468-0483.00182

Reference yield:

diphenylamine (122-39-4) → N,N-diphenyl semicarbazide (603-51-0)

Guidance literature:

Multi-step reaction with 2 steps

1: pyridine / dichloromethane / Cooling with ice; Schlenk technique; Inert atmosphere

2: hydrazine hydrate / diethyl ether; ethanol / 0.5 h / Schlenk technique; Inert atmosphere

With pyridine; hydrazine hydrate; In diethyl ether; ethanol; dichloromethane;

DOI:10.1016/j.jinorgbio.2012.10.011

Reference yield:

Diphenyl-carbamic acid 2,2,2-trifluoro-ethyl ester → N,N-diphenyl semicarbazide (603-51-0)

Guidance literature:

With hydrazine; In ethanol; for 1.5h; Reflux;

DOI:10.1039/c4ra12425a

upstream raw materials:

N,N-diphenylurea

diphenylcarbamic chloride

ethanol

hydrazine hydrate

Downstream raw materials:

3,5-dimethyl-1H-pyrazole

1-diphenylcarbamoyl thiosemicarbazide

3,5-dimethyl-pyrazole-1-carboxylic acid diphenylamide

3,5-Diisothiocyanato-1,1,7,7-tetraphenyl-4-thio-triuret