[(1S,2S,4S,9S,10R)-14-Oxo-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-4-yl] (E)-3-phenylprop-2-enoate

Base Information

• Chemical Name: [(1S,2S,4S,9S,10R)-14-Oxo-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-4-yl] (E)-3-phenylprop-2-enoate
• CAS No.: 5835-04-1
• Molecular Formula: C24H30 N2 O3
• Molecular Weight: 394.514
• European Community (EC) Number: 227-420-9
• Nikkaji Number: J218.091J
• Wikidata: Q105215057
• Mol file: 5835-04-1.mol

Synonyms:5835-04-1;[(1S,2S,4S,9S,10R)-14-Oxo-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-4-yl] (E)-3-phenylprop-2-enoate;EINECS 227-420-9;13alpha-Cinnamoyloxylupanine;(2S-(2alpha(E),7beta,7Abeta,14beta,14aalpha))-dodecahydro-11-oxo-7,14-methano-2H,6H-dipyrido(1,2-a:1',2'-e)(1,5)diazocin-2-yl cinnamate

Chemical Property of [(1S,2S,4S,9S,10R)-14-Oxo-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-4-yl] (E)-3-phenylprop-2-enoate

Chemical Property:

• Boiling Point: 566.5°Cat760mmHg
• Flash Point: 296.4°C
• PSA: 49.85000
• Density: 1.24g/cm³
• LogP: 2.98260
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 394.22564282
• Heavy Atom Count: 29
• Complexity: 657

Purity/Quality:

99% ^*data from raw suppliers

trans-13-Cinnamoyloxylupanine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC2C3CC(CN2C(=O)C1)C4CC(CCN4C3)OC(=O)C=CC5=CC=CC=C5
• Isomeric SMILES: C1C[C@@H]2[C@H]3C[C@@H](CN2C(=O)C1)[C@@H]4C[C@H](CCN4C3)OC(=O)/C=C/C5=CC=CC=C5

Technology Process of [(1S,2S,4S,9S,10R)-14-Oxo-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-4-yl] (E)-3-phenylprop-2-enoate

There total 1 articles about [(1S,2S,4S,9S,10R)-14-Oxo-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-4-yl] (E)-3-phenylprop-2-enoate 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:

cinnamoyl-S-CoA (30801-99-1,76109-04-1) + Pseudohydroxylupanine (27773-60-0) → 13-O-E-cinnamoyllupanine (5835-04-1)

Guidance literature:

With ethylenediaminetetraacetic acid; DL-dithiothreitol; cinnamoyl-CoA:13-hydroxylupanine-O-cinnamoyltransferase from Lupinus angustifolius; at 30 ℃; for 0.333333h; buffer; pH=7.8;

DOI:10.1016/0031-9422(91)84195-X

upstream raw materials:

cinnamoyl-S-CoA

Pseudohydroxylupanine

Refernces