4-Methylbenzo[h]quinoline

Base Information

• Chemical Name: 4-Methylbenzo[h]quinoline
• CAS No.: 40174-37-6
• Molecular Formula: C14H11N
• Molecular Weight: 193.248
• Hs Code.: 2933990090
• NSC Number: 109768
• UNII: FNN70Y1QK5
• DSSTox Substance ID: DTXSID60960616
• Nikkaji Number: J87.919C
• Wikidata: Q82941847
• ChEMBL ID: CHEMBL1734111
• Mol file: 40174-37-6.mol

Synonyms:4-methylbenzo[h]quinoline;7,8-Benzlepidine;40174-37-6;4-Methylbenzo(h)quinoline;Benzo(h)quinoline, 4-methyl-;NSC 109768;BRN 0134015;FNN70Y1QK5;NSC-109768;5-20-08-00256 (Beilstein Handbook Reference);NSC109768;UNII-FNN70Y1QK5;MLS001196739;CHEMBL1734111;SCHEMBL11473713;DTXSID60960616;HMS1612F16;HMS2873B13;CCG-19814;STK396446;AKOS001647660;NCGC00186309-01;NCGC00186309-02;LS-40180;SMR000555918;EU-0077334;AG-617/02195049;4512-78-1

Chemical Property of 4-Methylbenzo[h]quinoline

Chemical Property:

• Vapor Pressure: 2.78E-05mmHg at 25°C
• Boiling Point: 368°Cat760mmHg
• Flash Point: 163.3°C
• PSA: 12.89000
• Density: 1.155g/cm³
• LogP: 3.69640
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 193.089149355
• Heavy Atom Count: 15
• Complexity: 225

Purity/Quality:

97% ^*data from raw suppliers

4-METHYLBENZO[H]QUINOLINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=C2C=CC3=CC=CC=C3C2=NC=C1

Technology Process of 4-Methylbenzo[h]quinoline

There total 14 articles about 4-Methylbenzo[h]quinoline 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: 82.0%

1-amino-naphthalene (134-32-7) + methyl vinyl ketone (78-94-4,25038-87-3) → 4-methyl-7,8-benzoquinoline (40174-37-6)

Guidance literature:

With indium(III) chloride; silica gel; for 0.116667h; Irradiation;

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

Reference yield: 70.0%

tert-butyl 3a-methyl-2,3,3a,3b-tetrahydro-1H-naphtho[1',2':1,3]cyclopropa[1,2-b]pyrrole-1-carboxylate → 4-methyl-7,8-benzoquinoline (40174-37-6)

Guidance literature:

With acetyl chloride; In methanol; at 20 ℃; for 24h;

DOI:10.1002/adsc.201700205

Reference yield: 51.0%

1-Hydroxy-3-butanone (590-90-9) + 1-amino-naphthalene (134-32-7) → 4-methyl-7,8-benzoquinoline (40174-37-6)

Guidance literature:

With iodine; In dimethyl sulfoxide; at 20 ℃; for 8h;

DOI:10.1016/j.tet.2019.02.041

upstream raw materials:

2-chlor-4-methylbenzo-quinoline

but-2-ynyl-[1]naphthyl-amine

1-amino-naphthalene

methyl vinyl ketone

Downstream raw materials:

4-styryl-benzo[h]quinoline

4-(trans-2-benzo[h]quinolin-4-yl-vinyl)-N,N-dimethyl-aniline

benzo[h]quinoline-4-carboxylic acid

C₂₃H₂₀N₂