6-Chloro-4-methylquinoline

Base Information

• Chemical Name: 6-Chloro-4-methylquinoline
• CAS No.: 41037-29-0
• Molecular Formula: C10H8 Cl N
• Molecular Weight: 177.633
• Hs Code.: 2933499090
• DSSTox Substance ID: DTXSID40505620
• Nikkaji Number: J1.228.816F
• Wikidata: Q82360855
• Mol file: 41037-29-0.mol

Synonyms:6-CHLORO-4-METHYLQUINOLINE;41037-29-0;6-Chlorolepidine;4-Methyl-6-chlorchinolin;6-Chloro-4-methyl-quinoline;SCHEMBL827782;DTXSID40505620;NPPPLXJXZOCDHJ-UHFFFAOYSA-N;MFCD00082870;AKOS006239985;SB68186;CS-0140347;FT-0731465;EN300-52440;Z752358924

Chemical Property of 6-Chloro-4-methylquinoline

Chemical Property:

• Melting Point: 65-66.5 °C
• Boiling Point: 294.2±20.0 °C(Predicted)
• PKA: 4.85±0.16(Predicted)
• PSA: 12.89000
• Density: 1.225±0.06 g/cm3(Predicted)
• LogP: 3.19660
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 177.0345270
• Heavy Atom Count: 12
• Complexity: 160

Purity/Quality:

98.5% ^*data from raw suppliers

6-Chloro-4-methylquinoline 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 6-Chloro-4-methylquinoline

There total 6 articles about 6-Chloro-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: 89.0%

4,6-dichloroquinoline (4203-18-3) + methylmagnesium bromide (75-16-1) → 6-chloro-4-methylquinoline (41037-29-0)

Guidance literature:

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

DOI:10.1002/asia.202100704

Reference yield: 80.0%

4-chloro-aniline (106-47-8) + methyl vinyl ketone (78-94-4,25038-87-3) → 6-chloro-4-methylquinoline (41037-29-0)

Guidance literature:

With indium(III) chloride; silica gel; for 0.2h; Irradiation;

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

Reference yield:

1.3-butanediol (18826-95-4,107-88-0) + 4-chloro-aniline (106-47-8) → 6-chloro-2-methylquinoline (92-46-6) + 6-chloro-4-methylquinoline (41037-29-0)

Guidance literature:

With iron(III) chloride hexahydrate; In tetrachloromethane; at 150 ℃; for 8h; Overall yield = 82 %; Inert atmosphere;

DOI:10.1134/S1070363216070136

upstream raw materials:

1,3,3-trimethoxybutane

p-chloroaniline hydrochloride

4-chloro-2-butanone

4-chloro-aniline

Downstream raw materials:

6-chloro-4-styryl-quinoline

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

6-chloroquinoline-4-carboxaldehyde

6-chloroquinoline-4-carboxylic acid