4,7-Dimethylquinoline

Base Information

• Chemical Name: 4,7-Dimethylquinoline
• CAS No.: 40941-54-6
• Molecular Formula: C11H11 N
• Molecular Weight: 157.215
• Hs Code.: 2933499090
• European Community (EC) Number: 255-148-0
• UNII: 7HZT8WXU3E
• DSSTox Substance ID: DTXSID40193940
• Nikkaji Number: J294.796J
• Wikidata: Q83066672
• ChEMBL ID: CHEMBL1898153
• Mol file: 40941-54-6.mol

Synonyms:4,7-Dimethylquinoline;40941-54-6;Quinoline, 4,7-dimethyl-;EINECS 255-148-0;7HZT8WXU3E;4,7-Dimethyl-chinolin;UNII-7HZT8WXU3E;7-Methyl-4-methyl-quinoline;SCHEMBL873159;CHEMBL1898153;DTXSID40193940;AKOS006372716;NCGC00188130-01

Chemical Property of 4,7-Dimethylquinoline

Chemical Property:

• Vapor Pressure: 0.00555mmHg at 25°C
• Refractive Index: 1.6722 (estimate)
• Boiling Point: 283°Cat760mmHg
• Flash Point: 115.5°C
• PSA: 12.89000
• Density: 1.052g/cm³
• LogP: 2.85160
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 157.089149355
• Heavy Atom Count: 12
• Complexity: 155

Purity/Quality:

99% ^*data from raw suppliers

4,7-dimethyl-Quinoline 97.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC2=NC=CC(=C2C=C1)C

Technology Process of 4,7-Dimethylquinoline

There total 12 articles about 4,7-Dimethylquinoline 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: 84.0%

methyl vinyl ketone (78-94-4,25038-87-3) + 1-amino-3-methylbenzene (108-44-1) → 4,7-dimethylquinoline (40941-54-6)

Guidance literature:

With indium(III) chloride; silica gel; for 0.166667h; Irradiation;

DOI:10.1016/S0040-4039(99)02111-5

Reference yield: 30.0%

4,7-dichloroquinoline (86-98-6,1138471-54-1) + methylmagnesium bromide (75-16-1) → 4,7-dimethylquinoline (40941-54-6) + 7-chloro-4-methyl-quinoline (40941-53-5)

Guidance literature:

With manganese(ll) chloride; In tetrahydrofuran; at 0 ℃; for 3h; Inert atmosphere;

DOI:10.1002/asia.202100704

Reference yield:

1.3-butanediol (18826-95-4,107-88-0) + 1-amino-3-methylbenzene (108-44-1) → 2,7-dimethylquinoline (93-37-8) + 4,7-dimethylquinoline (40941-54-6)

Guidance literature:

With iron(III) chloride hexahydrate; In tetrachloromethane; at 150 ℃; for 8h; Overall yield = 78 %; Inert atmosphere;

DOI:10.1134/S1070363216070136

upstream raw materials:

m-toluidine hydrochloride

methyl vinyl ketone

1-amino-3-methylbenzene

4,7-dimethyl-quinolin-2-ol

Downstream raw materials:

N,N-dimethyl-4-[trans-2-(7-methyl-[4]quinolyl)-vinyl]-aniline