N-(4-Bromo-2-nitrophenyl)acetamide

Base Information

• Chemical Name: N-(4-Bromo-2-nitrophenyl)acetamide
• CAS No.: 881-50-5
• Molecular Formula: C8H7 Br N2 O3
• Molecular Weight: 259.059
• Hs Code.: 2924299090
• NSC Number: 142293
• DSSTox Substance ID: DTXSID10236818
• Nikkaji Number: J89.925I
• Wikidata: Q72448671
• Mol file: 881-50-5.mol

Synonyms:N-(4-Bromo-2-nitrophenyl)acetamide;881-50-5;4'-Bromo-2'-nitroacetanilide;4-Bromo-2-nitroacetanilide;4//'-Bromo-2//'-nitroacetanilide;MFCD00024299;N-(4-bromo-2-nitro-phenyl)-acetamide;Acetamide, N-(4-bromo-2-nitrophenyl)-;NSC142293;2-Nitro-4-bromacetanilid;SCHEMBL978546;DTXSID10236818;N-Acetyl 4-bromo-2-nitroaniline;4/'-Bromo-2/'-nitroacetanilide;BBL000685;STK367251;AKOS004910224;CCG-249272;DS-5199;N-(4-Bromo-2-nitrophenyl)acetamide #;NSC 142293;NSC-142293;N-(4-bromanyl-2-nitro-phenyl)ethanamide;CS-0153992;FT-0633071;EN300-18635;A842483;AE-848/01518043;Z87001616

Chemical Property of N-(4-Bromo-2-nitrophenyl)acetamide

Chemical Property:

• Vapor Pressure: 3.72E-07mmHg at 25°C
• Melting Point: 102-104°C
• Boiling Point: 416.8°C at 760 mmHg
• PKA: 12.96±0.70(Predicted)
• Flash Point: 205.9°C
• PSA: 74.92000
• Density: 1.72g/cm³
• LogP: 2.91190
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 257.96400
• Heavy Atom Count: 14
• Complexity: 241

Purity/Quality:

99%, ^*data from raw suppliers

4'-BROMO-2'-NITROACETANILIDE Aldrich ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(=O)NC1=C(C=C(C=C1)Br)[N+](=O)[O-]

Technology Process of N-(4-Bromo-2-nitrophenyl)acetamide

There total 11 articles about N-(4-Bromo-2-nitrophenyl)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: 99.1%

4-Bromo-2-nitroaniline (875-51-4) + acetic anhydride (108-24-7) → N-(4-bromo-2-nitrophenyl)acetamide (881-50-5)

Guidance literature:

With acetic acid; at 95 ℃; for 7.5h;

Reference yield: 94.0%

4-bromoacetanilide (103-88-8) → N-(4-bromo-2-nitrophenyl)acetamide (881-50-5)

Guidance literature:

With ammonium molybdate; water; nitric acid; In chloroform; for 6h; Heating;

DOI:10.1246/cl.2000.48

Reference yield: 91.0%

acetic anhydride (108-24-7) + 4-bromo-aniline (106-40-1) → N-(4-bromo-2-nitrophenyl)acetamide (881-50-5)

Guidance literature:

With bismuth (III) nitrate pentahydrate; In dichloromethane; at 23 ℃; regioselective reaction;

DOI:10.1016/j.tet.2013.08.076

upstream raw materials:

4-bromoacetanilide

acetic acid-(2-nitro-4-trimethylsilanyl-anilide)

o-nitroacetanilide

nitric acid

Downstream raw materials:

4-Bromo-2-nitroaniline

2-amino-4-bromoacetanilide

5-bromo-2-methylbenzimidazole

6-bromo-8-nitroquinoline

Refernces

• 1、 -. "Fused tricyclic derivative as FGFR4 inhibitor". Paragraph 0420-0425. . Retrieved 2021/05/12.
• 2、 Li, Gen,Luzung, Michael R.,Nykaza, Trevor V.,Radosevich, Alexander T.,Yang, Junyu. "PIII/PV=O Catalyzed Cascade Synthesis of N-Functionalized Azaheterocycles". supporting information. p. 4505 - 4510. Retrieved 2020/02/05.