7-Bromo-2-methylquinoline-4-carboxylic acid

Base Information

• Chemical Name: 7-Bromo-2-methylquinoline-4-carboxylic acid
• CAS No.: 923715-61-1
• Molecular Formula: C₁₁H₈BrNO₂
• Molecular Weight: 266.094
• European Community (EC) Number: 964-160-1
• Mol file: 923715-61-1.mol

Synonyms:7-bromo-2-methylquinoline-4-carboxylic acid;923715-61-1;SCHEMBL12045723;CCSVETPERRNKDU-UHFFFAOYSA-N;AKOS000195406;WS-02013;7-bromo-2-methylquinoline-4-carboxylicacid;CS-0250194;EN300-50068;D85334;Z228588418

Chemical Property of 7-Bromo-2-methylquinoline-4-carboxylic acid

Chemical Property:

• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 264.97384
• Heavy Atom Count: 15
• Complexity: 259

Purity/Quality:

99% ^*data from raw suppliers

7-BROMO-2-METHYLQUINOLINE-4-CARBOXYLIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC(=C2C=CC(=CC2=N1)Br)C(=O)O

Technology Process of 7-Bromo-2-methylquinoline-4-carboxylic acid

There total 1 articles about 7-Bromo-2-methylquinoline-4-carboxylic acid 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:

(E)-N-(3-bromophenyl)-2-(hydroxyimino)acetamide (65971-74-6) + acetone (67-64-1) → 5-bromo-2-methyl-quinoline-4-carboxylic acid + 7-bromo-2-methyl-quinoline-4-carboxylic acid (923715-61-1)

Guidance literature:

(E)-N-(3-bromophenyl)-2-(hydroxyimino)acetamide; With sulfuric acid; In water; at 60 - 80 ℃; for 0.5h; Inert atmosphere;

With potassium hydroxide; In water; at 20 ℃; for 0.166667h; Cooling with ice;

acetone; Overall yield = 2.94 g; regioselective reaction; Further stages;

DOI:10.1055/s-0035-1561395

Reference yield:

7-bromo-2-methyl-quinoline-4-carboxylic acid (923715-61-1) + aniline (62-53-3) → C17H13BrN2O (1595085-32-7)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; HATU;

DOI:10.1016/j.bmcl.2014.02.028

upstream raw materials:

(E)-N-(3-bromophenyl)-2-(hydroxyimino)acetamide

acetone

Downstream raw materials:

C₁₇H₁₃BrN₂O

Refernces