2-Chloro-7,8-dimethylquinoline-3-carbaldehyde

Base Information

• Chemical Name: 2-Chloro-7,8-dimethylquinoline-3-carbaldehyde
• CAS No.: 323196-70-9
• Molecular Formula: C12H10ClNO
• Molecular Weight: 219.671
• DSSTox Substance ID: DTXSID40354993
• Wikidata: Q82133548
• Mol file: 323196-70-9.mol

Synonyms:2-chloro-7,8-dimethylquinoline-3-carbaldehyde;323196-70-9;2-chloro-7,8-dimethyl-3-quinolinecarbaldehyde;2-Chloro-7,8-dimethylquinoline-3-carboxaldehyde;SCHEMBL4069722;DTXSID40354993;ISBVEHFRQCFGCD-UHFFFAOYSA-N;MFCD02227043;STK661525;AKOS004121186;AB11586;LS-08156;CS-0279619;EN300-703650;AG-690/40751290

Chemical Property of 2-Chloro-7,8-dimethylquinoline-3-carbaldehyde

Chemical Property:

• Vapor Pressure: 1.08E-05mmHg at 25°C
• Melting Point: 156 °C
• Boiling Point: 370.8oC at 760 mmHg
• PKA: -0.77±0.50(Predicted)
• Flash Point: 178.1oC
• PSA: 29.96000
• Density: 1.27g/cm3
• LogP: 3.31750
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 219.0450916
• Heavy Atom Count: 15
• Complexity: 246

Purity/Quality:

98%min ^*data from raw suppliers

2-Chloro-7,8-dimethylquinoline-3-carbaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Chloro-7,8-dimethylquinoline-3-carbaldehyde

There total 3 articles about 2-Chloro-7,8-dimethylquinoline-3-carbaldehyde 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:

N-(2,3-dimethylphenyl)acetamide (134-98-5) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → 2-chloro-7,8-dimethyl-3-quinolinecarboxaldehyde (323196-70-9)

Guidance literature:

With trichlorophosphate; at 80 ℃; for 20h;

Reference yield:

2,3-Dimethylaniline (87-59-2) → 2-chloro-7,8-dimethyl-3-quinolinecarboxaldehyde (323196-70-9)

Guidance literature:

Multi-step reaction with 2 steps

1: triethylamine / dichloromethane / 0 - 20 °C

2: trichlorophosphate

With triethylamine; trichlorophosphate; In dichloromethane; 2: |Vilsmeier-Haack Formylation;

DOI:10.1021/acs.jafc.5b01530

Reference yield:

N-(2,3-dimethylphenyl)acetamide (134-98-5) → 2-chloro-7,8-dimethyl-3-quinolinecarboxaldehyde (323196-70-9)

Guidance literature:

at 80 - 90 ℃;

DOI:10.2478/s11696-010-0058-y

upstream raw materials:

N-(2,3-dimethylphenyl)acetamide

N,N-dimethyl-formamide

2,3-Dimethylaniline

Downstream raw materials:

1-(2-chloro-7,8-dimethyl-quinolin-3-ylmethyl)-1-(2-methoxy-ethyl)-3-p-tolyl-thiourea

(2-chloro-7,8-dimethylquinolin-3-yl)methanol

C₃₆H₃₃N₃O₄

C₃₆H₃₂N₂O₅