2'-Chloro-5'-nitroacetophenone

Base Information

• Chemical Name: 2'-Chloro-5'-nitroacetophenone
• CAS No.: 23082-50-0
• Molecular Formula: C8H6ClNO3
• Molecular Weight: 199.594
• Hs Code.: 2914700090
• European Community (EC) Number: 245-421-2
• DSSTox Substance ID: DTXSID30177658
• Nikkaji Number: J318.401C
• Wikidata: Q72455962
• Mol file: 23082-50-0.mol

Synonyms:23082-50-0;2'-Chloro-5'-nitroacetophenone;1-(2-chloro-5-nitrophenyl)ethanone;2-Chloro-5-nitroacetophenone;1-(2-chloro-5-nitro-phenyl)-ethanone;1-(2-Chloro-5-nitrophenyl)ethan-1-one;Ethanone, 1-(2-chloro-5-nitrophenyl)-;MFCD00052836;EINECS 245-421-2;SCHEMBL1762503;2'-chloro-5'-nitro-acetophenone;DTXSID30177658;2`-Chloro-5`-nitro-acetophenone;AKOS006346204;AM61851;CS-W002254;GS-3825;PB47699;SY002857;A4888;C3289;FT-0638293;EN300-159908;2 inverted exclamation mark -Chloro-5 inverted exclamation mark -nitroacetophenone

Chemical Property of 2'-Chloro-5'-nitroacetophenone

Chemical Property:

• Vapor Pressure: 0.0298mmHg at 25°C
• Melting Point: 62 °C(Solv: ethanol (64-17-5))
• Refractive Index: 1.573
• Boiling Point: 244.787 °C at 760 mmHg
• Flash Point: 101.844 °C
• PSA: 62.89000
• Density: 1.379 g/cm³
• LogP: 2.97400
• Storage Temp.: 2-8°C
• Solubility.: soluble in Methanol
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 199.0036207
• Heavy Atom Count: 13
• Complexity: 226

Purity/Quality:

99% ^*data from raw suppliers

2''-Chloro-5''-nitroacetophenone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])Cl

Technology Process of 2'-Chloro-5'-nitroacetophenone

There total 10 articles about 2'-Chloro-5'-nitroacetophenone 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:

1-(2-chlorophenyl)ethanone (2142-68-9) → 2'-chloro-5'-nitroacetophenone (23082-50-0)

Guidance literature:

With nitric acid;

Reference yield:

2-chloro-5-nitrobenzoylchloride (25784-91-2) → 2'-chloro-5'-nitroacetophenone (23082-50-0)

Guidance literature:

With sodium diethylmalonate; diethyl ether; anschl. mit wss. HCl und Essigsaeure;

DOI:10.1021/ja01650a067

Reference yield:

C10H6ClNO7 → 2'-chloro-5'-nitroacetophenone (23082-50-0)

Guidance literature:

With sulfuric acid; acetic acid; In water; at 95 - 105 ℃; for 3h; Inert atmosphere; Large scale;

DOI:10.1021/acs.oprd.6b00208

upstream raw materials:

1-(2-chlorophenyl)ethanone

2-chloro-5-nitrobenzoylchloride

2-(2-Chloro-5-nitro-benzoyl)-malonic acid diethyl ester

diethyl (ethoxymagnesio)malonate

Downstream raw materials:

2-ethanoly-4-nitro-N-phenylaniline

N-cyclohexyl-5-nitrobenzo[b]thiophen-3-amine

N-benzyl-5-nitrobenzo[b]thiophen-3-amine

ethyl 2-(1-(2-chloro-5-nitrophenyl)ethylidene)hydrazinecarboxylate

Refernces

• 1、 Robarge, Kirk D.,Brunton, Shirley A.,Castanedo, Georgette M.,Cui, Yong,Dina, Michael S.,Goldsmith, Richard,Gould, Stephen E.,Guichert, Oivin,Gunzner, Janet L.,Halladay, Jason,Jia, Wei,Khojasteh, Cyrus,Koehler, Michael F.T.,Kotkow, Karen,La, Hank,LaLonde, Rebecca L.,Lau, Kevin,Lee, Leslie,Marshall, Derek,Marsters Jr., James C.,Murray, Lesley J.,Qian, Changgeng,Rubin, Lee L.,Salphati, Laurent,Stanley, Mark S.,Stibbard, John H.A.,Sutherlin, Daniel P.,Ubhayaker, Savita,Wang, Shumei,Wong, Susan,Xie, Minli. "GDC-0449-A potent inhibitor of the hedgehog pathway". scheme or table. p. 5576 - 5581. Retrieved 2010/04/05.
• 2、 Pieper,Seydel,Kruger,Noll,Keck,Wiese. "Preparation and biological activity of new substituted antimalarial diaminodiphenylsulfones". . p. 1073 - 1080. Retrieved 2007/10/02.