Cycloprotobuxine C

Base Information

• Chemical Name: Cycloprotobuxine C
• CAS No.: 1936-70-5
• Molecular Formula: C27H48N2
• Molecular Weight: 400.68
• NSC Number: 102244
• DSSTox Substance ID: DTXSID80295472
• Nikkaji Number: J14.945D
• Wikidata: Q27106288
• Metabolomics Workbench ID: 125921
• ChEMBL ID: CHEMBL1976863
• Mol file: 1936-70-5.mol

Synonyms:CYCLOPROTOBUXINE C;1936-70-5;CHEBI:4029;NSC102244;Alkaloid L;CHEMBL1976863;SCHEMBL17663608;Cycloprotobuxine C (Alkaloid L);DTXSID80295472;NCI60_000063;Q27106288;(1S,3R,6S,8R,11S,12S,15S,16R)-15-[(1S)-1-(dimethylamino)ethyl]-N,7,7,12,16-pentamethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-amine

Chemical Property of Cycloprotobuxine C

Chemical Property:

• Vapor Pressure: 7.01E-09mmHg at 25°C
• Boiling Point: 466.6°C at 760 mmHg
• Flash Point: 102.2°C
• PSA: 15.27000
• Density: 1.01g/cm³
• LogP: 6.35450
• XLogP3: 7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 400.381749540
• Heavy Atom Count: 29
• Complexity: 684

Purity/Quality:

98%,99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)NC)C)C)N(C)C
• Isomeric SMILES: C[C@@H]([C@H]1CC[C@@]2([C@@]1(CC[C@]34[C@H]2CC[C@@H]5[C@]3(C4)CC[C@@H](C5(C)C)NC)C)C)N(C)C

Technology Process of Cycloprotobuxine C

There total 3 articles about Cycloprotobuxine C 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-benzoylcycloprotobuxine-C → cycloprotobuxine-C (1936-70-5)

Guidance literature:

base hydrolysis;

DOI:10.1023/A:1024188831456

Reference yield:

→ Dihydrocyclobuxupalin-C (1936-70-5,56687-61-7)

Guidance literature:

aus d. entspr. Amin (IV) u. Adams-Katal.;

DOI:10.1016/S0031-9422(00)91534-6

Reference yield:

→ Cycloprotobuxin G (1936-70-5,56687-61-7)

Guidance literature:

Buxalin C (I), MeOH, H2SO4;

DOI:10.1007/BF00568475

Downstream raw materials:

N-Acetyl-cycloprotobuxin-C