4'-Chloroacetophenone semicarbazone

Base Information

• Chemical Name: 4'-Chloroacetophenone semicarbazone
• CAS No.: 7575-74-8
• Molecular Formula: C9H10ClN3O
• Molecular Weight: 211.651
• NSC Number: 634795,406254
• DSSTox Substance ID: DTXSID90420192
• ChEMBL ID: CHEMBL3189338
• Mol file: 7575-74-8.mol

Synonyms:4'-chloroacetophenone semicarbazone;7575-74-8;[(E)-[1-(4-chlorophenyl)ethylidene]amino]urea;[(E)-1-(4-chlorophenyl)ethylideneamino]urea;120445-85-4;3N-004;2-[(E)-1-(4-chlorophenyl)ethylidene]-1-hydrazinecarboxamide;NSC634795;MLS000326725;CHEMBL3189338;SCHEMBL17560861;DTXSID90420192;MFCD01568803;NSC406254;AKOS001003905;NSC-406254;NSC-634795;SMR000179278;(E)-1-(4-Chlorophenyl)ethanone semicarbazone;A923256;(1E)-1-(4-Chlorophenyl)ethan-1-one semicarbazone

Chemical Property of 4'-Chloroacetophenone semicarbazone

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: 1.31g/cm³
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 211.0512396
• Heavy Atom Count: 14
• Complexity: 234

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4'-Chloroacetophenone semicarbazone

There total 4 articles about 4'-Chloroacetophenone 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:

semicarbazide hydrochloride (563-41-7) + para-chloroacetophenone (99-91-2) → p-chloroacetophenone semicarbazone (7575-74-8)

Guidance literature:

With sodium acetate; In methanol; water; for 1h; Ambient temperature;

DOI:10.1016/0223-5234(96)88237-7

Reference yield:

2-bromo-1-methoxy-1-(4-chlorophenyl)ethane (83739-62-2) → p-chloroacetophenone semicarbazone (7575-74-8)

Guidance literature:

Multi-step reaction with 2 steps

1: KOH

2: sodium acetate; aqueous ethanol

With potassium hydroxide; ethanol; sodium acetate;

DOI:10.1021/ja01339a033

Reference yield:

1-(p-chlorophenyl)-1-methoxyethene (67471-39-0) + semicarbazide hydrochloride (563-41-7) → p-chloroacetophenone semicarbazone (7575-74-8)

Guidance literature:

With ethanol; sodium acetate;

DOI:10.1021/ja01339a033

upstream raw materials:

1-(p-chlorophenyl)-1-methoxyethene

semicarbazide hydrochloride

para-chloroacetophenone

2-bromo-1-methoxy-1-(4-chlorophenyl)ethane

Downstream raw materials:

Potassium; (4-chloro-phenyl)-ethyneselenolate

1-benzyl-3-(4-chlorophenyl)-1H-pyrazole-4-carbaldehyde

Refernces

• 1、 Huang, Yushan,Hu, Hongmei,Yan, Rui,Lin, Liwen,Song, Mingxia,Yao, Xiaodong. "Synthesis and evaluation of antimicrobial and anticancer activities of 3-phenyl-1-phenylsulfonyl pyrazoles containing an aminoguanidine moiety". . . Retrieved 2020/10/15.
• 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.