N-(5-bromoquinolin-8-yl)acetamide

Base Information

• Chemical Name: N-(5-bromoquinolin-8-yl)acetamide
• CAS No.: 99851-80-6
• Molecular Formula: C₁₁H₉BrN₂O
• Molecular Weight: 265.109
• DSSTox Substance ID: DTXSID50353790
• Nikkaji Number: J3.663.303D
• Wikidata: Q82131581
• Mol file: 99851-80-6.mol

Synonyms:N-(5-bromoquinolin-8-yl)acetamide;99851-80-6;N-(5-bromo-8-quinolinyl)acetamide;N-(5-bromo-8-quinolyl)acetamide;CHEMBRDG-BB 5851236;MFCD00449411;Oprea1_516174;Oprea1_866014;SCHEMBL23360233;DTXSID50353790;BBL001763;STK036839;AKOS000513655;SB70097;SY265412;VS-00867;CS-0312668;EU-0083477;FT-0683242;N~1~-(5-BROMO-8-QUINOLYL)ACETAMIDE;AG-205/07944009

Chemical Property of N-(5-bromoquinolin-8-yl)acetamide

Chemical Property:

• Vapor Pressure: 4.93E-09mmHg at 25°C
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 263.98983
• Heavy Atom Count: 15
• Complexity: 247

Purity/Quality:

98%min ^*data from raw suppliers

N-(5-Bromoquinolin-8-yl)acetamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)NC1=C2C(=C(C=C1)Br)C=CC=N2

Technology Process of N-(5-bromoquinolin-8-yl)acetamide

There total 4 articles about N-(5-bromoquinolin-8-yl)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: 98.0%

N-(quinolin-8-yl)acetamide (33757-42-5) → N-(5-bromoquinolin-8-yl)acetamide (99851-80-6)

Guidance literature:

With N-benzyl-N,N,N-triethylammonium chloride; N,N'-dibromohydantoin; In water; at 20 ℃; for 12h;

Reference yield:

8-amino quinoline (578-66-5) → N-(5-bromoquinolin-8-yl)acetamide (99851-80-6)

Guidance literature:

Multi-step reaction with 2 steps

1.1: triethylamine / dichloromethane / 0.33 h

1.2: 3 h / 0 - 20 °C

2.1: sodium bromide; oxone / 1,2-dichloro-ethane / 10 h / 25 °C / Sealed tube

With oxone; triethylamine; sodium bromide; In dichloromethane; 1,2-dichloro-ethane;

DOI:10.1039/c6ob02079h

Reference yield:

→ N-(5-bromoquinolin-8-yl)acetamide (99851-80-6)

Guidance literature:

With bromine; acetic acid;

upstream raw materials:

N-(quinolin-8-yl)acetamide

8-amino quinoline

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