(5alpha,7alpha)-alpha-tert-Butyl-4,5-epoxy-18,19-dihydro-3,6-dimethoxy-alpha,17-dimethyl-6,14-ethenomorphinan-7-methanol

Base Information

Chemical Name:(5alpha,7alpha)-alpha-tert-Butyl-4,5-epoxy-18,19-dihydro-3,6-dimethoxy-alpha,17-dimethyl-6,14-ethenomorphinan-7-methanol
CAS No.:85080-82-6
Molecular Formula:C₂₇H₃₉NO₄
Molecular Weight:441.611
Hs Code.:
European Community (EC) Number:285-337-3
DSSTox Substance ID:DTXSID701107408
Nikkaji Number:J550.342F
Mol file:85080-82-6.mol

Synonyms:EINECS 285-337-3;85080-82-6;(5alpha,7alpha)-alpha-tert-Butyl-4,5-epoxy-18,19-dihydro-3,6-dimethoxy-alpha,17-dimethyl-6,14-ethenomorphinan-7-methanol;C27H39NO4;C27-H39-N-O4;SCHEMBL18694953;DTXSID701107408;(5alpha,7alpha)-alpha-(1,1-Dimethylethyl)-4,5-epoxy-18,19-dihydro-3,6-dimethoxy-alpha,17-dimethyl-6,14-ethenomorphinan-7-methanol;3,6beta-Dimethoxy-7alpha-(1-hydroxy-1,2,2-trimethylpropyl)-17-methyl-4,5alpha-epoxy-6,14alpha-ethanomorphinan

Suppliers and Price of (5alpha,7alpha)-alpha-tert-Butyl-4,5-epoxy-18,19-dihydro-3,6-dimethoxy-alpha,17-dimethyl-6,14-ethenomorphinan-7-methanol

Supply Marketing:

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

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
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Total 2 raw suppliers

Chemical Property of (5alpha,7alpha)-alpha-tert-Butyl-4,5-epoxy-18,19-dihydro-3,6-dimethoxy-alpha,17-dimethyl-6,14-ethenomorphinan-7-methanol

Chemical Property:

PSA：51.16000
LogP:3.87450
XLogP3:4.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:441.28790873
Heavy Atom Count:32
Complexity:797

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)(C)C(C)(C1CC23CCC1(C4C25CCN(C3CC6=C5C(=C(C=C6)OC)O4)C)OC)O
Isomeric SMILES:CC(C)(C)C(C)([C@H]1C[C@@]23CC[C@@]1([C@H]4[C@@]25CCN([C@@H]3CC6=C5C(=C(C=C6)OC)O4)C)OC)O

Technology Process of (5alpha,7alpha)-alpha-tert-Butyl-4,5-epoxy-18,19-dihydro-3,6-dimethoxy-alpha,17-dimethyl-6,14-ethenomorphinan-7-methanol

There total 10 articles about (5alpha,7alpha)-alpha-tert-Butyl-4,5-epoxy-18,19-dihydro-3,6-dimethoxy-alpha,17-dimethyl-6,14-ethenomorphinan-7-methanol 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: 79.0%

: 677-22-5
tert-butylmagnesium chloride

: 16196-82-0
7-acetyl-6,14-endo-ethano-6,7,8,14-tetrahydrothebaine

: 22152-80-3,85080-82-6,98301-16-7,98301-77-0,136232-78-5,136314-59-5,16196-70-6
[5α,7α]-α-(1,1-dimethylethyl)-4,5-epoxy-18,19-dihydro-3,6-dimethoxy-α,17-dimethyl-6,14-ethenomorphinan-7-methanol

Guidance literature:: In diethyl ether; diethylene glycol dimethyl ether; toluene; at 0 - 5 ℃; for 1h;

Reference yield: 65.16%

: 507-20-0
tertiary butyl chloride

: 16196-82-0
7-acetyl-6,14-endo-ethano-6,7,8,14-tetrahydrothebaine

: 22152-80-3,85080-82-6,98301-16-7,98301-77-0,136232-78-5,136314-59-5,16196-70-6
[5α,7α]-α-(1,1-dimethylethyl)-4,5-epoxy-18,19-dihydro-3,6-dimethoxy-α,17-dimethyl-6,14-ethenomorphinan-7-methanol

Guidance literature:: tertiary butyl chloride; With cyclopentyl methyl ether; iodine; magnesium; at 35 - 40 ℃; for 12h; Inert atmosphere; Sealed tube; Industrial scale;

7-acetyl-6,14-endo-ethano-6,7,8,14-tetrahydrothebaine; With cyclopentyl methyl ether; at 35 - 40 ℃; for 10h; Inert atmosphere; Industrial scale;

Reference yield: 65.16%

: 507-20-0
tertiary butyl chloride

: 7α-acetyl-6,14-endo-ethano-6,7,8,14-tetrahydrothebaine

: 22152-80-3,85080-82-6,98301-16-7,98301-77-0,136232-78-5,136314-59-5,16196-70-6
[5α,7α]-α-(1,1-dimethylethyl)-4,5-epoxy-18,19-dihydro-3,6-dimethoxy-α,17-dimethyl-6,14-ethenomorphinan-7-methanol

Guidance literature:: tertiary butyl chloride; With iodine; magnesium; at 35 - 40 ℃; for 12h; Inert atmosphere; Industrial scale; Green chemistry;

7α-acetyl-6,14-endo-ethano-6,7,8,14-tetrahydrothebaine; at 35 - 40 ℃; for 10h; Inert atmosphere; Industrial scale; Green chemistry;

With water; ammonium chloride; Cooling; Industrial scale; Green chemistry;