6-Bromo-4-methylquinoline

Base Information

• Chemical Name: 6-Bromo-4-methylquinoline
• CAS No.: 41037-28-9
• Molecular Formula: C10H8BrN
• Molecular Weight: 222.084
• Hs Code.: 2933499090
• European Community (EC) Number: 637-010-5
• DSSTox Substance ID: DTXSID90499681
• Nikkaji Number: J1.228.817D
• Wikidata: Q72448037
• Mol file: 41037-28-9.mol

Synonyms:6-BROMO-4-METHYLQUINOLINE;41037-28-9;MFCD09258893;QUINOLINE, 6-BROMO-4-METHYL-;6-bromo-4-methyl-quinoline;SCHEMBL741042;6-bromanyl-4-methyl-quinoline;F9995-0181;DTXSID90499681;XBZQSJLYRMZRSZ-UHFFFAOYSA-N;AMY11590;AKOS015957649;AB49783;CS-W014726;FD10480;NCGC00188263-01;DS-10782;SY107078;FT-0711534;EN300-238339;A825409;A1-00752;Z1269159983

Chemical Property of 6-Bromo-4-methylquinoline

Chemical Property:

• Vapor Pressure: 0.001mmHg at 25°C
• Melting Point: 94-95℃
• Refractive Index: 1.654
• Boiling Point: 315.773 °C at 760 mmHg
• PKA: 4.85±0.16(Predicted)
• Flash Point: 144.774 °C
• PSA: 12.89000
• Density: 1.488 g/cm³
• LogP: 3.30570
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• Sensitive.: Air & Light Sensitive
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 220.98401
• Heavy Atom Count: 12
• Complexity: 160

Purity/Quality:

99% ^*data from raw suppliers

6-Bromo-4-methylquinoline ^*data from reagent suppliers

Safty Information:

• Statements: 41
• Safety Statements: 26-39

MSDS Files:

Useful:

• Canonical SMILES: CC1=C2C=C(C=CC2=NC=C1)Br
• Uses: 6-Bromo-4-methylquinoline is a reagent used in the synthesis of dibenzenesulfonamide derivatives.

Technology Process of 6-Bromo-4-methylquinoline

There total 2 articles about 6-Bromo-4-methylquinoline 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: 81.0%

methyl vinyl ketone (78-94-4,25038-87-3) + 4-bromo-aniline (106-40-1) → 6-bromo-4-methylquinoline (41037-28-9)

Guidance literature:

4-bromo-aniline; With hydrogenchloride; chloranil; In ethanol; water; at 20 ℃; for 0.0833333h;

methyl vinyl ketone; In ethanol; water; at 75 ℃; for 4.5h;

Reference yield:

→ 6-bromo-4-methylquinoline (41037-28-9)

Guidance literature:

p-Bromanilin, Aceton, Formalin/HCl;

Reference yield: 100.0%

6-bromo-4-methylquinoline (41037-28-9) + bis(pinacol)diborane (73183-34-3) → (4-methylquinolin-6-yl)boronic acid

Guidance literature:

With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; potassium acetate; In 1,4-dioxane; at 80 ℃; for 20h; Inert atmosphere;

upstream raw materials:

methyl vinyl ketone

4-bromo-aniline

Downstream raw materials:

4-[trans-2-(6-bromo-[4]quinolyl)-vinyl]-N,N-dimethyl-aniline

6-bromoquinoline-4-carbaldehyde

6-bromo-4-(2-(6-methylpyridin-2-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinoline

6-formyl-4-methylquinoline

Refernces

• 1、 -. "TGFβ INHIBITOR AND PRODRUGS". Page/Page column 46. . Retrieved 2020/06/10.
• 2、 Li, Hong-Yu,McMillen, William T.,Heap, Charles R.,McCann, Denis J.,Yan, Lei,Campbell, Robert M.,Mundla, Sreenivasa R.,King, Chi-Hsin R.,Dierks, Elizabeth A.,Anderson, Bryan D.,Britt, Karen S.,Huss, Karen L.,Voss, Matthew D.,Wang, Yan,Clawson, David K.,Yingling, Jonathan M.,Sawyer, J. Scott. "Optimization of a dihydropyrrolopyrazole series of transforming growth factor-β type I receptor kinase domain inhibitors: Discovery of an orally bioavailable transforming growth factor-β receptor type I inhibitor as antitumor agent". . p. 2302 - 2306. Retrieved 2008/12/20.