Ketoyobirine

Base Information

• Chemical Name: Ketoyobirine
• CAS No.: 6879-87-4
• Molecular Formula: C20H16N2O
• Molecular Weight: 300.36
• NSC Number: 121856
• DSSTox Substance ID: DTXSID50988501
• Wikidata: Q82977057
• ChEMBL ID: CHEMBL1702043
• Mol file: 6879-87-4.mol

Synonyms:Ketoyobirine;MLS002707148;6879-87-4;NSC121856;16-methyl-3,14,15,16,17,18,19,20-octadehydroyohimban-21-one;CHEMBL1702043;DTXSID50988501;NSC-121856;SMR001574543

Chemical Property of Ketoyobirine

Chemical Property:

• Vapor Pressure: 1.55E-14mmHg at 25°C
• Boiling Point: 603.9°Cat760mmHg
• Flash Point: 319°C
• Density: 1.36g/cm³
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 300.126263138
• Heavy Atom Count: 23
• Complexity: 542

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C2C=C3C4=C(CCN3C(=O)C2=CC=C1)C5=CC=CC=C5N4

Technology Process of Ketoyobirine

There total 4 articles about Ketoyobirine 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:

2-(2-indol-3-yl-ethyl)-5-methyl-4H-isoquinoline-1,3-dione → 1-methyl-8,13-dihydro-7H-indolo[2',3':3,4]pyrido[1,2-b]isoquinolin-5-one (6879-87-4)

Guidance literature:

With trichlorophosphate;

DOI:10.1002/hlca.19480310503

Reference yield:

→ 1-methyl-8,13-dihydro-7H-indolo[2',3':3,4]pyrido[1,2-b]isoquinolin-5-one (6879-87-4)

Guidance literature:

With selenium; at 300 ℃;

Reference yield:

Yohimbine (146-48-5) → 1-methyl-8,13-dihydro-7H-indolo[2',3':3,4]pyrido[1,2-b]isoquinolin-5-one (6879-87-4)

Guidance literature:

With selenium; at 300 ℃;

upstream raw materials:

Yohimbine

Downstream raw materials:

betacarboline

2,3-dimethylbenzoic acid