(4-aminophenyl)(3,4-dihydroquinolin-1(2H)-yl)methanone

Base Information

• Chemical Name: (4-aminophenyl)(3,4-dihydroquinolin-1(2H)-yl)methanone
• CAS No.: 137975-18-9
• Molecular Formula: C16H16N2O
• Molecular Weight: 252.316
• Hs Code.: 2933499090
• DSSTox Substance ID: DTXSID90388086
• Wikidata: Q82182806
• Mol file: 137975-18-9.mol

Synonyms:137975-18-9;(4-aminophenyl)(3,4-dihydroquinolin-1(2H)-yl)methanone;(4-AMINOPHENYL)[3,4-DIHYDRO-1(2H)-QUINOLINYL]-METHANONE;(4-aminophenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone;4-(3,4-Dihydroquinolin-1(2h)-ylcarbonyl)aniline;4-(1,2,3,4-tetrahydroquinoline-1-carbonyl)aniline;1-(4-aminobenzoyl)-1,2,3,4-tetrahydroquinoline;1-(4-aminobenzoyl}-1,2,3,4-tetrahydroquinoline;SCHEMBL6965406;DTXSID90388086;KZYCNMIZJOEZLC-UHFFFAOYSA-N;HMS1599P12;MFCD07359508;STK898979;AKOS000139115;BB 0242872;CS-0216746;EN300-57285;F21063;Z234894815;(4-Amino-phenyl)-(3,4-dihydro-2H-quinolin-1- yl)-methanone

Chemical Property of (4-aminophenyl)(3,4-dihydroquinolin-1(2H)-yl)methanone

Chemical Property:

• PSA: 46.33000
• LogP: 3.50800
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 252.126263138
• Heavy Atom Count: 19
• Complexity: 323

Purity/Quality:

98%min ^*data from raw suppliers

(4-Aminophenyl)(3,4-dihydroquinolin-1(2H)-yl)methanone ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC2=CC=CC=C2N(C1)C(=O)C3=CC=C(C=C3)N

Technology Process of (4-aminophenyl)(3,4-dihydroquinolin-1(2H)-yl)methanone

There total 5 articles about (4-aminophenyl)(3,4-dihydroquinolin-1(2H)-yl)methanone 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: 100.0%

1-(4-nitrobenzoyl)-1,2,3,4-tetrahydroquinoline (137975-17-8) → 4-aminophenyl 1,2,3,4-tetrahydroquinolyl ketone (137975-18-9)

Guidance literature:

With hydrogen; palladium on activated charcoal; In ethanol; for 5h; under 760 Torr; Ambient temperature;

DOI:10.1021/jm960133o

Reference yield:

1,2,3,4-tetrahydroisoquinoline (635-46-1) → 4-aminophenyl 1,2,3,4-tetrahydroquinolyl ketone (137975-18-9)

Guidance literature:

Multi-step reaction with 2 steps

1: 67 percent / Et₃N / CH₂Cl₂ / 1 h / Ambient temperature

2: 100 percent / H₂ / 10percent Pd/C / ethanol / 5 h / 760 Torr / Ambient temperature

With hydrogen; triethylamine; palladium on activated charcoal; In ethanol; dichloromethane;

DOI:10.1021/jm960133o

Reference yield:

4-nitro-benzoyl chloride (122-04-3) → 4-aminophenyl 1,2,3,4-tetrahydroquinolyl ketone (137975-18-9)

Guidance literature:

Multi-step reaction with 2 steps

1: 67 percent / Et₃N / CH₂Cl₂ / 1 h / Ambient temperature

2: 100 percent / H₂ / 10percent Pd/C / ethanol / 5 h / 760 Torr / Ambient temperature

With hydrogen; triethylamine; palladium on activated charcoal; In ethanol; dichloromethane;

DOI:10.1021/jm960133o

upstream raw materials:

1-(4-nitrobenzoyl)-1,2,3,4-tetrahydroquinoline

1,2,3,4-tetrahydroisoquinoline

4-nitro-benzoyl chloride

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