4-Chloro-2,7,8-trimethylquinoline

Base Information

• Chemical Name: 4-Chloro-2,7,8-trimethylquinoline
• CAS No.: 78509-29-2
• Molecular Formula: C₁₂H₁₂ClN
• Molecular Weight: 205.687
• Hs Code.: 2933499090
• European Community (EC) Number: 804-443-8
• DSSTox Substance ID: DTXSID40587946
• Wikidata: Q82480419
• Mol file: 78509-29-2.mol

Synonyms:4-chloro-2,7,8-trimethylquinoline;78509-29-2;Quinoline, 4-chloro-2,7,8-trimethyl-;DTXSID40587946;MFCD08848190;STK691858;AKOS002683331;AB49058;CCG-321599;MCULE-3967563787;NCGC00342676-01;CS-0313880;4-Chloro-2,7,8-trimethylquinoline, AldrichCPR;AB01333901-02

Chemical Property of 4-Chloro-2,7,8-trimethylquinoline

Chemical Property:

• Vapor Pressure: 0.00133mmHg at 25°C
• Boiling Point: 307.3oC at 760 mmHg
• Flash Point: 168.4oC
• PSA: 12.89000
• Density: 1.158g/cm3
• LogP: 3.81340
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 205.0658271
• Heavy Atom Count: 14
• Complexity: 207

Purity/Quality:

98%min ^*data from raw suppliers

4-Chloro-2,7,8-trimethylquinoline ^*data from reagent suppliers

Safty Information:

• Hazard Codes: T
• Statements: 25-41
• Safety Statements: 26-39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C2=NC(=CC(=C2C=C1)Cl)C)C

Technology Process of 4-Chloro-2,7,8-trimethylquinoline

There total 3 articles about 4-Chloro-2,7,8-trimethylquinoline 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:

2,3-Dimethylaniline (87-59-2) → 4-chloro-2,7,8-trimethylquinoline (78509-29-2)

Guidance literature:

Multi-step reaction with 3 steps

1: methanol / 7 h / 40 °C

2: diphenylether / 0.5 h / Reflux

3: trichlorophosphate / 3 h / Reflux

With trichlorophosphate; In methanol; diphenylether;

DOI:10.1007/s00044-011-9854-3

Reference yield:

C14H19NO2 (905442-38-8) → 4-chloro-2,7,8-trimethylquinoline (78509-29-2)

Guidance literature:

Multi-step reaction with 2 steps

1: diphenylether / 0.5 h / Reflux

2: trichlorophosphate / 3 h / Reflux

With trichlorophosphate; In diphenylether;

DOI:10.1007/s00044-011-9854-3

Reference yield:

C12H13NO (449199-19-3,60019-55-8) → 4-chloro-2,7,8-trimethylquinoline (78509-29-2)

Guidance literature:

With trichlorophosphate; for 3h; Reflux;

DOI:10.1007/s00044-011-9854-3

upstream raw materials:

2,3-Dimethylaniline

C₁₄H₁₉NO₂

C₁₂H₁₃NO

Downstream raw materials:

2-(4'-chloro-7',8'-dimethylquinolin-2'-yl)-5,7-di(tert-butyl)-1,3-tropolone

Refernces