1,4-Diphenylsemicarbazide

Base Information

• Chemical Name: 1,4-Diphenylsemicarbazide
• CAS No.: 621-12-5
• Molecular Formula: C13H13N3O
• Molecular Weight: 227.266
• Hs Code.: 2928000090
• European Community (EC) Number: 678-402-6
• NSC Number: 6790
• UNII: KE9EGE2YN2
• DSSTox Substance ID: DTXSID9060730
• Nikkaji Number: J134.754C
• Wikidata: Q81989175
• Mol file: 621-12-5.mol

Synonyms:1,4-Diphenylsemicarbazide;621-12-5;N,2-Diphenylhydrazinecarboxamide;1-anilino-3-phenylurea;N,N'-Diphenyl semicarbazide;Hydrazinecarboxamide, N,2-diphenyl-;Semicarbazide, 1,4-diphenyl-;1-phenyl-3-(phenylamino)urea;AI3-00497;NSC 6790;NSC-6790;NSC6790;1,4-Diphenylsemicarbizide;KE9EGE2YN2;3-phenyl-1-(phenylamino)urea;DTXSID9060730;Hydrazinecarboxamide,2-diphenyl-;SCHEMBL13648229;N,2-Diphenylhydrazinecarboxamide #;MFCD00020635;AKOS000119991;AS-60952;CS-0235435;D0913;EN300-15667;D89740;Z44586029

Chemical Property of 1,4-Diphenylsemicarbazide

Chemical Property:

• Appearance/Colour: Colorless needle-like crystal
• Melting Point: 181 °C
• Refractive Index: 1.694
• PSA: 53.16000
• Density: 1.271 g/cm³
• LogP: 3.37210
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 227.105862047
• Heavy Atom Count: 17
• Complexity: 233

Purity/Quality:

98%,99%, ^*data from raw suppliers

1,4-Diphenylsemicarbazide >98.0%(HPLC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC=C(C=C1)NC(=O)NNC2=CC=CC=C2

Technology Process of 1,4-Diphenylsemicarbazide

There total 32 articles about 1,4-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: 92.0%

phenyl carbamate (64-10-8) + phenylhydrazine (100-63-0) → 1,4-diphenylsemicarbazide (621-12-5)

Guidance literature:

at 110 - 120 ℃; for 6h; Ionic liquid; Green chemistry;

DOI:10.1002/hc.21244

Reference yield: 75.0%

5-Isobutyl-3-methylsulfanyl-1,4-diphenyl-4H-[1,2,4]triazol-1-ium; iodide (77331-32-9) → 3-methylbutyric acid (503-74-2) + methylthiol (74-93-1) + 1,4-diphenylsemicarbazide (621-12-5)

Guidance literature:

With potassium hydroxide;

DOI:10.1016/S0040-4039(00)93683-9

Reference yield: 71.0%

5-(7-Methoxy-3,7-dimethyl-octyl)-3-methylsulfanyl-1,4-diphenyl-4H-[1,2,4]triazol-1-ium; iodide (77331-34-1) → methylthiol (74-93-1) + 8-Methoxy-4,8-dimethyl-nonanoic acid (77331-38-5) + 1,4-diphenylsemicarbazide (621-12-5)

Guidance literature:

With potassium hydroxide;

DOI:10.1016/S0040-4039(00)93683-9

upstream raw materials:

ethanol

phenyl isocyanate dimer

phenylhydrazine

4-phenyl-5-phenylimino-[1,3,4]thiadiazolidin-2-one

Downstream raw materials:

N-phenyl-2-phenyldiazenecarboxamide

methylammonium carbonate

aniline

2-formyl-1-phenylhydrazine

Refernces

• 1、 Mao, Hui,Liu, Huili,Tu, Yawei,Zhong, Zhiyun,Lv, Xin,Wang, Xiaoxia. "One-pot preparation of carbamoyl benzotriazoles and their applications in the preparation of ureas, hydrazinecarboxamides and carbamic esters". . p. 13 - 22. Retrieved 2016/02/18.
• 2、 Doleschall, Gabor. "THE CHAIN LENGTHENING OF ALIPHATIC ALDEHYDES WITH THE AID OF "NUCLEOPHILIC CARBENE"". . p. 4183 - 4186. Retrieved 2007/10/02.