1-PHENYLSEMICARBAZIDE

Base Information

• Chemical Name: 1-PHENYLSEMICARBAZIDE
• CAS No.: 103-03-7
• Molecular Formula: C7H9 N3 O
• Molecular Weight: 151.168
• Hs Code.: 29280090
• European Community (EC) Number: 203-072-3
• NSC Number: 2763
• UNII: 1LR2578324
• DSSTox Substance ID: DTXSID9020245
• Nikkaji Number: J5.011C
• Wikipedia: Phenicarbazide
• Wikidata: Q7181345
• NCI Thesaurus Code: C72931
• ChEMBL ID: CHEMBL1593719
• Mol file: 103-03-7.mol

Synonyms:Semicarbazide,1-phenyl- (6CI,7CI,8CI); 1-Carbamoyl-2-phenylhydrazine;1-Carbamyl-2-phenylhydrazine; 1-Phenylsemicarbazide; 2-Phenylhydrazinecarboxamide;Carbaphen; Cryogenine; Cryogenine (pharmaceutical); Febrimin; Kryogenin; NSC2763; Phenicarbazid; Phenicarbazide; Phenygenine; Phenylsemicarbazide

Chemical Property of 1-PHENYLSEMICARBAZIDE

Chemical Property:

• Melting Point: 171-174 °C(lit.)
• Refractive Index: 1.5860 (estimate)
• Boiling Point: °Cat760mmHg
• PKA: 11.16±0.43(Predicted)
• Flash Point: °C
• PSA: 67.15000
• Density: 1.275g/cm³
• LogP: 1.84600
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• Solubility.: acetone: very soluble(lit.)
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 151.074561919
• Heavy Atom Count: 11
• Complexity: 132

Purity/Quality:

99% ^*data from raw suppliers

1-Phenylsemicarbazide >98.0%(HPLC)(T) ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22
• Safety Statements: 45-36/37/39-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)NNC(=O)N
• Uses: 1-Phenylsemicarbazide was used in the synthesis of a series of alkyl(aryl/heteroaryl) substituted 3-trifluoromethyl-1H-1-phenylpyrazoles and alkyl 3-carboxylate analogs by the cyclocondensation reactions with 4-alkoxy-1,1,1-trihaloalk-3-en-2-ones.

Technology Process of 1-PHENYLSEMICARBAZIDE

There total 37 articles about 1-PHENYLSEMICARBAZIDE 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: 74.0%

potassium cyanate (590-28-3) + phenylhydrazine (100-63-0) → 1-phenylsemicarbazide (103-03-7)

Guidance literature:

With hydrogenchloride; In water; at 80 ℃; for 1h; Microwave irradiation;

DOI:10.1055/s-0030-1258553

Reference yield:

dicyanodiamidine sulfate (5338-16-9) + phenylhydrazine (100-63-0) → guanidinium sulfate (594-14-9,1184-68-5) + 1-phenylsemicarbazide (103-03-7)

Guidance literature:

Reference yield:

N-carboethoxyaniline (101-99-5) + 4-fluorobenzoyl hydrazide (456-06-4) → 1-phenylsemicarbazide (103-03-7)

Guidance literature:

With hydrazine hydrate; In tetrahydrofuran;

upstream raw materials:

3,5-dimethylpyrazole-1-carboxamide

phenylhydrazine

N-phenyl-N-nitrosourea

acetone-(2-phenyl semicarbazone)

Downstream raw materials:

1,5-diphenyl-1,2-dihydro-[1,2,4]triazol-3-one

1-benzoyl-1-phenyl semicarbazide

1-acetyl-1-phenyl semicarbazide

1-phenyl-1,2-dihydro-[1,2,4]triazol-3-one

Refernces

• 1、 Lan, Chunling Blue,Auclair, Karine. "Ammonium Chloride-Promoted Rapid Synthesis of Monosubstituted Ureas under Microwave Irradiation". supporting information. p. 5135 - 5146. Retrieved 2021/10/19.
• 2、 De Luca, Lidia,Porcheddu, Andrea,Giacomelli, Giampaolo,Murgia, Irene. "Microwave-assisted synthesis of N-monosubstituted urea derivatives". scheme or table. p. 2439 - 2442. Retrieved 2010/11/18.