2-Hydroxyimino-N-(4-nitro-phenyl)-acetamide

Base Information

• Chemical Name: 2-Hydroxyimino-N-(4-nitro-phenyl)-acetamide
• CAS No.: 17122-62-2
• Molecular Formula: C8H7 N3 O4
• Molecular Weight: 209.161
• Hs Code.: 2928000090
• NSC Number: 201442
• Mol file: 17122-62-2.mol

Synonyms:2-Hydroxyimino-N-(4-nitro-phenyl)-acetamide;17122-62-2;(2E)-2-hydroxyimino-N-(4-nitrophenyl)acetamide;(2E)-2-(N-HYDROXYIMINO)-N-(4-NITROPHENYL)ACETAMIDE;NSC201442;2-hydroxyimino-N-(4-nitrophenyl)acetamide;p-nitroisonitrosoacetanilide;AKOS000122485;NSC-201442;EN300-05926;2-(N-hydroxyimino)-N-(4-nitrophenyl)acetamide;AG-690/33031033;SR-01000397910;SR-01000397910-1

Chemical Property of 2-Hydroxyimino-N-(4-nitro-phenyl)-acetamide

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 107.51000
• Density: 1.47g/cm³
• LogP: 1.58950
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 209.04365571
• Heavy Atom Count: 15
• Complexity: 266

Purity/Quality:

97% ^*data from raw suppliers

2-HYDROXY IMINO-N-(4-NITRO-PHENYL)-ACETAMIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1NC(=O)C=NO)[N+](=O)[O-]
• Isomeric SMILES: C1=CC(=CC=C1NC(=O)/C=N/O)[N+](=O)[O-]

Technology Process of 2-Hydroxyimino-N-(4-nitro-phenyl)-acetamide

There total 4 articles about 2-Hydroxyimino-N-(4-nitro-phenyl)-acetamide 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: 88.0%

chloral (75-87-6) + 4-nitro-aniline (100-01-6,104810-17-5) → hydroxyimino-acetic acid-(4-nitro-anilide) (17122-62-2)

Guidance literature:

With hydroxylamine hydrochloride; sodium sulfate; In water; for 0.05h; microwave irradiation;

DOI:10.1080/00397919908085998

Reference yield:

chloral hydrate (302-17-0) + 4-nitro-aniline (100-01-6,104810-17-5) → hydroxyimino-acetic acid-(4-nitro-anilide) (17122-62-2)

Guidance literature:

With hydrogenchloride; hydroxylamine;

Reference yield:

acetic acid acetoxy-(4-nitro-phenylcarbamoyl)-methyl ester → hydroxyimino-acetic acid-(4-nitro-anilide) (17122-62-2)

Guidance literature:

With hydroxylamine hydrochloride; In ethanol; water; for 2h; Heating;

DOI:10.1016/j.tetlet.2005.10.046

upstream raw materials:

chloral hydrate

4-nitro-aniline

chloral

Downstream raw materials:

5-nitroisatin

2-(5-nitro-2,3-dioxoindolin-1-yl)-N-phenylacetamide

4-(3'-chloro-4'-fluoroanilino)-6-nitroquinazoline

N′-(2-cyano-4-nitrophenyl)-N,N-dimethylformimidamide

Refernces

• 1、 Liu, Wei,Zhu, He-Min,Niu, Guo-Jun,Shi, En-Zhi,Chen, Jie,Sun, Bo,Chen, Wei-Qiang,Zhou, Hong-Gang,Yang, Cheng. "Synthesis, modification and docking studies of 5-sulfonyl isatin derivatives as SARS-CoV 3C-like protease inhibitors". . p. 292 - 302. Retrieved 2014/01/17.
• 2、 Xie, Chao,Tang, Li-Ming,Li, Fu-Nan,Guan, Li-Ping,Pan, Cheng-Yan,Wang, Si-Hong. "Structure-based design, synthesis, andanticonvulsant activity of isatin-1-N-phenylacetamide derivatives". . p. 2161 - 2168. Retrieved 2014/05/06.