6-Chloro-1,2-dihydro-2,2,4-trimethylquinoline

Base Information

• Chemical Name: 6-Chloro-1,2-dihydro-2,2,4-trimethylquinoline
• CAS No.: 6848-16-4
• Molecular Formula: C12H14 Cl N
• Molecular Weight: 207.703
• Hs Code.: 2933499090
• European Community (EC) Number: 229-937-5
• DSSTox Substance ID: DTXSID40218581
• Nikkaji Number: J29.104H
• Wikidata: Q83095457
• Mol file: 6848-16-4.mol

Synonyms:6848-16-4;6-Chloro-1,2-dihydro-2,2,4-trimethylquinoline;6-chloro-2,2,4-trimethyl-1,2-dihydroquinoline;6-chloro-2,2,4-trimethyl-1H-quinoline;EINECS 229-937-5;Quinoline,6-chloro-1,2-dihydro-2,2,4-trimethyl-;SCHEMBL10840490;DTXSID40218581;MFCD00089969;AKOS024015298;CS-0326647;2,2,4-Trimethyl-6-chloro-1,2-dihydroquinoline

Chemical Property of 6-Chloro-1,2-dihydro-2,2,4-trimethylquinoline

Chemical Property:

• Vapor Pressure: 0.000953mmHg at 25°C
• Boiling Point: 303°C at 760 mmHg
• Flash Point: 137.1°C
• PSA: 12.03000
• Density: 1.07g/cm³
• LogP: 4.08540
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 207.0814771
• Heavy Atom Count: 14
• Complexity: 257

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(NC2=C1C=C(C=C2)Cl)(C)C

Technology Process of 6-Chloro-1,2-dihydro-2,2,4-trimethylquinoline

There total 3 articles about 6-Chloro-1,2-dihydro-2,2,4-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: 79.0%

4-chloro-aniline (106-47-8) + acetone (67-64-1) → 6-chloro-2,2,4-trimethyl-1,2-dihydroquinoline (6848-16-4)

Guidance literature:

With 1-butyl-3-methylimidazolium Tetrafluoroborate; ytterbium(III) triflate; at 20 ℃; for 0.5h;

DOI:10.1080/00397910600775374

Reference yield: 75.0%

4-methyl-pent-3-en-2-one (141-79-7) + 4-chloro-aniline (106-47-8) → 6-chloro-2,2,4-trimethyl-1,2-dihydroquinoline (6848-16-4)

Guidance literature:

With indium(III) chloride; silica gel; for 0.333333h; microwave irradiation;

DOI:10.1016/S0040-4020(02)01587-9

Reference yield:

→ 6-chloro-2,2,4-trimethyl-1,2-dihydroquinoline (6848-16-4)

Guidance literature:

p-Chloranilin, Aceton, p-TsOH;

upstream raw materials:

4-chloro-aniline

acetone

4-methyl-pent-3-en-2-one

Downstream raw materials:

6-chloro-8-cyclohexenyl-1,2-dihydro-2,2,4-trimethylquinoline

1-(6-chloro-4-methylquinazolin-2-yl)guanidine hydrochloride

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