2-Phenyl-2,3,4,9-tetrahydro-1H-beta-carbolin-1-one

Base Information

• Chemical Name: 2-Phenyl-2,3,4,9-tetrahydro-1H-beta-carbolin-1-one
• CAS No.: 89587-10-0
• Molecular Formula: C17H14N2O
• Molecular Weight: 262.311
• DSSTox Substance ID: DTXSID10529954
• Wikidata: Q82400739

Synonyms:89587-10-0;Oprea1_274261;2-Phenyl-2,3,4,9-tetrahydro-1H-beta-carbolin-1-one;DTXSID10529954

Chemical Property of 2-Phenyl-2,3,4,9-tetrahydro-1H-beta-carbolin-1-one

Chemical Property:

• PSA: 36.10000
• LogP: 3.43580
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 262.110613074
• Heavy Atom Count: 20
• Complexity: 377

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CN(C(=O)C2=C1C3=CC=CC=C3N2)C4=CC=CC=C4

Technology Process of 2-Phenyl-2,3,4,9-tetrahydro-1H-beta-carbolin-1-one

There total 5 articles about 2-Phenyl-2,3,4,9-tetrahydro-1H-beta-carbolin-1-one 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: 75.0%

4,9-Dihydropyrano<3,4-b>indol-1(3H)-on (6250-88-0) + aniline (62-53-3) → 2,3,4,9-Tetrahydro-2-phenyl-1H-pyrido<3,4-b>indol-1-one (89587-10-0)

Guidance literature:

at 200 - 210 ℃; for 3h;

DOI:10.1002/ardp.19873200106

Reference yield: 31.0%

2,3,4,9-Tetrahydro-2-phenyl-1H-pyrido<3,4-b>indole → 2,3,4,9-Tetrahydro-2-phenyl-1H-pyrido<3,4-b>indol-1-one (89587-10-0)

Guidance literature:

With oxygen; sodium acetate; rose bengal; In dimethyl sulfoxide; at 20 ℃; for 5h; Irradiation; Green chemistry;

DOI:10.1002/chem.201900078

Reference yield: 12.0%

phenylhydrazine hydrochloride (59-88-1) + α-dimethylaminomethylene-N-phenyl-γ-butyrolactam (89587-12-2) → 2,3,4,9-Tetrahydro-2-phenyl-1H-pyrido<3,4-b>indol-1-one (89587-10-0) + 1-phenyl-4-(2-phenylaminoethyl)-5-pyrazolone

Guidance literature:

With hydrogenchloride; In isopropyl alcohol; for 3h; Heating;

DOI:10.1007/BF00505848

upstream raw materials:

4,9-Dihydropyrano<3,4-b>indol-1(3H)-on

aniline

phenylhydrazine hydrochloride

α-dimethylaminomethylene-N-phenyl-γ-butyrolactam

Downstream raw materials:

(2-phenyl-1-thioxo-1,2,3,4-tetrahydro-β-carbolin-9-yl)acetic acid t-butyl ester

2-phenyl-2,3,4,9-tetrahydro-β-carboline-1-thione

(2-phenyl-1-thioxo-1,2,3,4-tetrahydro-β-carbolin-9-yl)acetic acid

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