Benzylideneacetone semicarbazone

Base Information

• Chemical Name: Benzylideneacetone semicarbazone
• CAS No.: 1722-63-0
• Molecular Formula: C11H13 N3 O
• Molecular Weight: 203.24
• Hs Code.: 2928000090
• European Community (EC) Number: 659-502-9
• NSC Number: 306891,25390
• ChEMBL ID: CHEMBL2261511
• Mol file: 1722-63-0.mol

Synonyms:Benzylideneacetone semicarbazone;1722-63-0;(4-phenylbut-3-en-2-ylideneamino)urea;Hydrazinecarboxamide, 2-(1-methyl-3-phenyl-2-propenylidene)-;3-Buten-2-one, 4-phenyl-, semicarbazone;[(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino]urea;3-Buten-2-one, semicarbazone;CHEMBL2261511;XEAXZEMHSLDEEG-NJHPPEEMSA-N;5468-31-5;NSC25390;NSC-25390;NSC306891;AKOS024344409;NSC-306891;(2E,3E)-4-Phenyl-3-buten-2-one semicarbazone;(2E,3E)-4-Phenyl-3-buten-2-one semicarbazone #;(2E)-2-[(3E)-4-Phenylbut-3-en-2-ylidene]hydrazinecarboxamide

Chemical Property of Benzylideneacetone semicarbazone

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 67.48000
• Density: 1.1g/cm³
• LogP: 2.83520
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 203.105862047
• Heavy Atom Count: 15
• Complexity: 265

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=NNC(=O)N)C=CC1=CC=CC=C1
• Isomeric SMILES: C/C(=N\NC(=O)N)/C=C/C1=CC=CC=C1

Technology Process of Benzylideneacetone semicarbazone

There total 7 articles about Benzylideneacetone semicarbazone 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: 91.97%

semicarbazide hydrochloride (563-41-7) + (E)-benzalacetone (1896-62-4) → 4-phenylbut-3-en-2-one semicarbazone (1722-63-0)

Guidance literature:

With sodium acetate; In ethanol; Heating;

Reference yield:

(E)-benzalacetone (1896-62-4) → C11H13N3O (1722-63-0,1722-65-2,5468-31-5)

Guidance literature:

Multi-step reaction with 2 steps

1: ethanol; aq. HCl / 24 h / Ambient temperature

In hydrogenchloride; ethanol;

Reference yield:

4t-phenyl-but-3-en-2-one-(E)-thiosemicarbazone (132121-87-0) → C11H13N3O (1722-63-0,1722-65-2,5468-31-5)

Guidance literature:

upstream raw materials:

(E)-benzalacetone

6-(phenyl)-dihydro-2H-pyran-2,4(3H)-dione

ethanol

semicarbazide hydrochloride

Downstream raw materials:

benzylacetone semicarbazone

4-<(E)-Styryl>-1,2,3-thiadiazol

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