Acetophenone semicarbazone

Base Information

• Chemical Name: Acetophenone semicarbazone
• CAS No.: 2492-30-0
• Molecular Formula: C9H11N3O
• Molecular Weight: 177.206
• Hs Code.: 29280000
• NSC Number: 21616
• DSSTox Substance ID: DTXSID701242513
• Nikkaji Number: J55.061B
• Mol file: 2492-30-0.mol

Synonyms:Acetophenone semicarbazone;[(Z)-1-phenylethylideneamino]urea;2492-30-0;ACETOPHENONE, SEMICARBAZONE;Hydrazinecarboxamide, 2-(1-phenylethylidene)-;NSC 21616;AI3-16976;2-(1-Phenylethylidene)hydrazinecarboxamide;2-(1-phenylethylidene)-1-hydrazinecarboxamide;1-Phenylethanone semicarbazone;NSC625221;WLN: ZVMNUY1&R;DTXSID701242513;17539-54-7;NSC21616;NSC-21616;AKOS000313691;(2Z)-2-(1-Phenylethylidene)hydrazinecarboxamide

Chemical Property of Acetophenone semicarbazone

Chemical Property:

• Melting Point: 207～209℃
• Refractive Index: 1.576
• PKA: 11.73±0.46(Predicted)
• PSA: 67.48000
• Density: 1.16 g/cm³
• LogP: 2.17010
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 177.090211983
• Heavy Atom Count: 13
• Complexity: 207

Purity/Quality:

98%min ^*data from raw suppliers

(1Z)-1-PhenylethanoneSemicarbazone ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 36/37/39

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Acetophenone semicarbazone

There total 18 articles about Acetophenone 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: 91.0%

semicarbazide hydrochloride (563-41-7) + acetophenone (98-86-2) → acetophenone semicarbazone (2492-30-0)

Guidance literature:

semicarbazide hydrochloride; With sodium acetate; In ethanol; at 20 ℃; for 0.25h;

acetophenone; In ethanol; at 20 ℃;

Reference yield:

hydrazine carboxamide (4426-72-6,51433-48-8,57-56-7) + acetophenone (98-86-2) → acetophenone semicarbazone (2492-30-0)

Guidance literature:

In ethanol; Heating;

Reference yield:

1,1,-dipropoxy-1-phenylethane (1139-43-1) → acetophenone semicarbazone (2492-30-0)

Guidance literature:

Multi-step reaction with 2 steps

1: fired clay / 250 °C

2: sodium acetate; diluted alcohol

With ethanol; fired clay; sodium acetate;

upstream raw materials:

ethanol

phenyl(1-phenylethylidene)amine

semicarbazide hydrochloride

potassium acetate

Downstream raw materials:

N-(4-methylphenyl)hydrazinecarboxamide

1-phenyl-5-(1-phenyl-ethylidene)-carbonohydrazide

4-phenyl-1,2,3-selenadiazole

5-methyl-5-phenyl-5H-[1,3,4]oxadiazol-2-one

Refernces

• 1、 Liang, Zhaochang,Huang, Yuping,Wang, Shiben,Deng, Xianqing. "Synthesis and biological evaluation of some pyrazole derivatives, containing (Thio) semicarbazide, as dual anti-inflammatory antimicrobial agents". . p. 1020 - 1030. Retrieved 2019/10/28.
• 2、 Zhang, Han,Liu, Huan,Luo, Xiao,Wang, Yuxi,Liu, Yuan,Jin, Hongwei,Liu, Zhenming,Yang, Wei,Yu, Peilin,Zhang, Liangren,Zhang, Lihe. "Design, synthesis and biological activities of 2,3-dihydroquinazolin-4(1H)-one derivatives as TRPM2 inhibitors". . p. 235 - 252. Retrieved 2018/05/09.