[(Z)-benzylideneamino]urea

Base Information

• Chemical Name: [(Z)-benzylideneamino]urea
• CAS No.: 1574-10-3
• Molecular Formula: C8H9N3O
• Molecular Weight: 163.179
• Hs Code.: 2928000090
• European Community (EC) Number: 216-397-0
• ChEMBL ID: CHEMBL72590
• Nikkaji Number: J80.239E
• Wikidata: Q82861513
• Mol file: 1574-10-3.mol

Synonyms:[(Z)-benzylideneamino]urea;1574-10-3;2-(phenylmethylene)-1-hydrazinecarboxamide;(E)-2-benzylidenehydrazinecarboxamide;phenylsemicarbazone;CHEMBL72590;AKOS016024723;(Z)-2-Benzylidenehydrazine-1-carboxamide;NS00047911;AE-641/00581002;17539-52-5

Chemical Property of [(Z)-benzylideneamino]urea

Chemical Property:

• Melting Point: 213.5-217.5 °C(lit.)
• Refractive Index: 1.586
• PSA: 67.48000
• Density: 1.19 g/cm³
• LogP: 1.78000
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 163.074561919
• Heavy Atom Count: 12
• Complexity: 173

Purity/Quality:

97% ^*data from raw suppliers

Benzaldehyde semicarbazone ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C=NNC(=O)N
• Isomeric SMILES: C1=CC=C(C=C1)/C=N\NC(=O)N
• Uses: Intermediate in the preparation of 1-Amino Hydantoin.

Technology Process of [(Z)-benzylideneamino]urea

There total 27 articles about [(Z)-benzylideneamino]urea 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: 26.0%

semicarbazide hydrochloride (563-41-7) + Benzotrichlorid (98-07-7) → benzaldehyde semicarbazone (1574-10-3) + 2-amino-5-phenyl-1,3,4-oxadiazole (1612-76-6)

Guidance literature:

With pyridine; Heating;

DOI:10.1007/BF01431617

Reference yield:

3,7-diphenyl-tetrahydro-[1,2,4]triazolo[1,2-a][1,2,4]triazole-1,5-dione (62442-52-8) → benzaldehyde (100-52-7) + benzaldehyde semicarbazone (1574-10-3)

Guidance literature:

Reference yield:

benzaldehyde (100-52-7) + hydrazine carboxamide (4426-72-6,51433-48-8,57-56-7) → benzaldehyde semicarbazone (1574-10-3)

Guidance literature:

With water;

upstream raw materials:

benzylidene dichloride

semicarbazide hydrochloride

4-methyl-4-semicarbazido-pentan-2-one semicarbazone

dithiobenzoic acid

Downstream raw materials:

1-[(2-phenylmethylene)amino]-2,4-imidazolidinedione

1-phenyl-propan-1-one

Propionamid

(1S:2S)-2-benzylidenehydrazinocarbonylamino-1-phenyl-propanol-⁽¹⁾