6-Bromo-2-methylquinoline-4-carbohydrazide

Base Information

• Chemical Name: 6-Bromo-2-methylquinoline-4-carbohydrazide
• CAS No.: 215778-63-5
• Molecular Formula: C11H10BrN3O
• Molecular Weight: 280.12100
• Hs Code.: 2933499090
• DSSTox Substance ID: DTXSID40351240
• Wikidata: Q82127486
• ChEMBL ID: CHEMBL1564948
• Mol file: 215778-63-5.mol

Synonyms:6-bromo-2-methylquinoline-4-carbohydrazide;215778-63-5;6-bromo-2-methyl-4-quinolinecarbohydrazide;MLS000532095;HMS1521O21;Maybridge4_000329;Cambridge id 5346330;SCHEMBL5809940;CHEMBL1564948;DTXSID40351240;HMS2507G09;CCG-54427;MFCD00115250;AKOS001600250;SB86509;IDI1_030911;BS-37596;SMR000137036;CS-0333606;AB00081801-01;SR-01000643524-1

Chemical Property of 6-Bromo-2-methylquinoline-4-carbohydrazide

Chemical Property:

• PKA: 11.33±0.30(Predicted)
• PSA: 71.50000
• Density: 1.584g/cm3
• LogP: 3.18430
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 279.00072
• Heavy Atom Count: 16
• Complexity: 274

Purity/Quality:

98% ^*data from raw suppliers

6-Bromo-2-methylquinoline-4-carbohydrazide 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 6-Bromo-2-methylquinoline-4-carbohydrazide

There total 4 articles about 6-Bromo-2-methylquinoline-4-carbohydrazide 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%

ethyl 6-bromo-2-methylquinoline-4-carboxylate (62482-30-8) → 6-bromo-2-methylquinoline-4-carbohydrazide (215778-63-5)

Guidance literature:

With hydrazine hydrate; In ethanol; for 2h; Reflux;

DOI:10.1002/ardp.201900086

Reference yield: 80.1%

→ 6-bromo-2-methylquinoline-4-carbohydrazide (215778-63-5)

Guidance literature:

Reference yield:

5-Bromo-1H-indole-2,3-dione (87-48-9) → 6-bromo-2-methylquinoline-4-carbohydrazide (215778-63-5)

Guidance literature:

Multi-step reaction with 3 steps

1.1: potassium hydroxide / water / 16 h / Cooling; Reflux

1.2: pH 4

2.1: sulfuric acid / 15 h / Reflux

3.1: hydrazine hydrate / ethanol / 2 h / Reflux

With sulfuric acid; hydrazine hydrate; potassium hydroxide; In ethanol; water;

DOI:10.1002/ardp.201900086

upstream raw materials:

5-Bromo-1H-indole-2,3-dione

6-bromo-2-methylquinoline-4-carboxylic acid

ethyl 6-bromo-2-methylquinoline-4-carboxylate

Downstream raw materials:

C₁₉H₁₆BrN₃O₂