2-Chloro-3,7-dimethylquinoline

Base Information

• Chemical Name: 2-Chloro-3,7-dimethylquinoline
• CAS No.: 73863-46-4
• Molecular Formula: C11H10ClN
• Molecular Weight: 191.66
• Hs Code.: 2933499090
• European Community (EC) Number: 804-018-7
• DSSTox Substance ID: DTXSID60357249
• Wikidata: Q82137083
• Mol file: 73863-46-4.mol

Synonyms:2-chloro-3,7-dimethylquinoline;73863-46-4;SCHEMBL3835940;2-chloro-3,7 -dimethylquinoline;DTXSID60357249;VRCFMOSCDFQGJA-UHFFFAOYSA-N;YCA86346;MFCD02327517;AKOS000320099;AB11873;2-Chloro-3,7-dimethylquinoline, AldrichCPR;CS-0322507;FT-0731784;AO-289/15480067

Chemical Property of 2-Chloro-3,7-dimethylquinoline

Chemical Property:

• Vapor Pressure: 0.00151mmHg at 25°C
• Melting Point: 94-95 °C
• Boiling Point: 305.2°C at 760 mmHg
• PKA: 0.99±0.50(Predicted)
• Flash Point: 167°C
• PSA: 12.89000
• Density: 1.188g/cm³
• LogP: 3.50500
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 191.0501770
• Heavy Atom Count: 13
• Complexity: 183

Purity/Quality:

98%min ^*data from raw suppliers

2-Chloro-3,7-dimethylquinoline ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22-41
• Safety Statements: 26-39

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC2=C(C=C1)C=C(C(=N2)Cl)C
• Uses: 2-chloro-3,7-dimethylquinoline is a useful reactant for the synthesis of 2-?(1H-?1,?2,?4-?triazol-?1-?yl)?quinolines.

Technology Process of 2-Chloro-3,7-dimethylquinoline

There total 3 articles about 2-Chloro-3,7-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: 78.0%

N-3-methylphenyl propanamide (705-47-5) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → 2-chloro-3,7-dimethyl-quinoline (73863-46-4)

Guidance literature:

With trichlorophosphate; at 75 ℃; for 2h; further conditions;

DOI:10.1039/P19810001537

Reference yield: 6.5%

N-3-methylphenyl propanamide (705-47-5) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → 2-chloro-3,7-dimethyl-quinoline (73863-46-4) + N-(1-chloroprop-1-enyl)-N-formyl-m-toluidine

Guidance literature:

With trichlorophosphate; 1.) room temperature, 30 min, 2.) 75 deg C, 2 h;

DOI:10.1039/P19810001537

Reference yield:

→ 2-chloro-3,7-dimethyl-quinoline (73863-46-4)

Guidance literature:

Acylanilin 1, POCl3/DMF;

DOI:10.1016/S0040-4039(01)86740-X

upstream raw materials:

N-3-methylphenyl propanamide

N,N-dimethyl-formamide

Downstream raw materials:

2-(3-methylphenyl)-3,7-dimethylquinoline

2,7-dimethylquinoline

Refernces

• 1、 Meth-Cohn, Otto,Rhouati, Salah,Tarnowski, Brian,Robinson, Andrew. "A Versatile New Synthesis of Quinolines and Related Fused Pyridines. Part 8. Conversion of Anilides into 3-Substituted Quinolines and into Quinoxalines". . p. 1537 - 1543. Retrieved 2007/10/02.