[(1R,4S,6R,7R,11Z)-4-(1-chloroethyl)-4-hydroxy-6,7,14-trimethyl-3,8,17-trioxo-2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-en-7-yl] acetate

Base Information

Chemical Name:[(1R,4S,6R,7R,11Z)-4-(1-chloroethyl)-4-hydroxy-6,7,14-trimethyl-3,8,17-trioxo-2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-en-7-yl] acetate
CAS No.:60367-00-2
Molecular Formula:C₂₁H₃₀ClNO₈
Molecular Weight:459.924
Hs Code.:

Synonyms:Doronine;BRN 1056634;[(1R,4S,6R,7R,11Z)-4-(1-chloroethyl)-4-hydroxy-6,7,14-trimethyl-3,8,17-trioxo-2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-en-7-yl] acetate;60367-00-2;4,8-Secosenecionan-8,11,16-trione, 15,20-dihydro-12-(acetyloxy)-20-chloro-15-hydroxy-4-methyl-;C21H30ClNO8;C21-H30-Cl-N-O8;LS-144728

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Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of [(1R,4S,6R,7R,11Z)-4-(1-chloroethyl)-4-hydroxy-6,7,14-trimethyl-3,8,17-trioxo-2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-en-7-yl] acetate

Chemical Property:

Vapor Pressure:2.79E-19mmHg at 25°C
Melting Point:113 - 114 °C (cyclohexane)
Boiling Point:643.6°C at 760 mmHg
PKA:11.42±0.60(Predicted)
Flash Point:343°C
PSA：119.44000
Density:1.30±0.1 g/cm3(Predicted)
LogP:0.93030
XLogP3:1.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:3
Exact Mass:459.1659946
Heavy Atom Count:31
Complexity:783

Purity/Quality:: 98% ^*data from raw suppliers

Safty Information:

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MSDS Files:

Useful:

Canonical SMILES:CC1CC(C(=O)OC2CCN(CC=C(C2=O)COC(=O)C1(C)OC(=O)C)C)(C(C)Cl)O
Isomeric SMILES:C[C@@H]1C[C@](C(=O)O[C@@H]2CCN(C/C=C(\C2=O)/COC(=O)[C@]1(C)OC(=O)C)C)(C(C)Cl)O
Description A chlorine containing pyrrolizidine alkaloid, doronine has recently been isolated from Doronicum macrophyllum. The structure shown above has been determined on the basis of infrared, NMR and mass spectrometry.

Technology Process of [(1R,4S,6R,7R,11Z)-4-(1-chloroethyl)-4-hydroxy-6,7,14-trimethyl-3,8,17-trioxo-2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-en-7-yl] acetate

There total 1 articles about [(1R,4S,6R,7R,11Z)-4-(1-chloroethyl)-4-hydroxy-6,7,14-trimethyl-3,8,17-trioxo-2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-en-7-yl] acetate 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: