17-(Cyclopropylmethyl)-7-benzyl-4,5-epoxy-3,14-dihydroxymorphinan-6-one

Base Information

Chemical Name:17-(Cyclopropylmethyl)-7-benzyl-4,5-epoxy-3,14-dihydroxymorphinan-6-one
CAS No.:153567-11-4
Molecular Formula:C27H29 N O4
Molecular Weight:431.532
Hs Code.:
European Community (EC) Number:604-913-0
DSSTox Substance ID:DTXSID80934778
Nikkaji Number:J1.214.713I
Wikidata:Q82910737
Mol file:153567-11-4.mol

Synonyms:17-(cyclopropylmethyl)-7-benzyl-4,5-epoxy-3,14-dihydroxymorphinan-6-one;17-CPM-nal

Suppliers and Price of 17-(Cyclopropylmethyl)-7-benzyl-4,5-epoxy-3,14-dihydroxymorphinan-6-one

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
Packaging
price

Total 2 raw suppliers

Chemical Property of 17-(Cyclopropylmethyl)-7-benzyl-4,5-epoxy-3,14-dihydroxymorphinan-6-one

Chemical Property:

Vapor Pressure:1.8E-16mmHg at 25°C
Boiling Point:624.7°Cat760mmHg
Flash Point:331.6°C
PSA：70.00000
Density:1.37g/cm³
LogP:3.64040
XLogP3:3.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:431.20965841
Heavy Atom Count:32
Complexity:763

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1CC1CN2CCC34C5C(=O)CCC3(C2CC6=C4C(=C(C=C6)OCC7=CC=CC=C7)O5)O
Isomeric SMILES:C1CC1CN2CC[C@]34[C@@H]5C(=O)CC[C@]3([C@H]2CC6=C4C(=C(C=C6)OCC7=CC=CC=C7)O5)O

Technology Process of 17-(Cyclopropylmethyl)-7-benzyl-4,5-epoxy-3,14-dihydroxymorphinan-6-one

There total 9 articles about 17-(Cyclopropylmethyl)-7-benzyl-4,5-epoxy-3,14-dihydroxymorphinan-6-one 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: 96.0%

: 16590-41-3
Naltrexone

: 100-39-0
benzyl bromide

: 153567-11-4
2,2,2-trichloroethyl (4'R,7a'R,12b'S)-9'-(benzyloxy)-1',2',4',6'-tetrahydro-3'H,7a'Hspiro[[1,3]dioxolane-2,7'-[4,12]methanobenzofuro[3,2-e]isoquinoline]-3'-carboxylate

Guidance literature:: With potassium carbonate; In N,N-dimethyl-formamide; at 20 ℃;
DOI:10.1016/j.tetlet.2007.07.194

Reference yield: 96.0%

: 16676-29-2
naltrexone Hydrochloride

: 100-39-0
benzyl bromide

: 153567-11-4
2,2,2-trichloroethyl (4'R,7a'R,12b'S)-9'-(benzyloxy)-1',2',4',6'-tetrahydro-3'H,7a'Hspiro[[1,3]dioxolane-2,7'-[4,12]methanobenzofuro[3,2-e]isoquinoline]-3'-carboxylate

Guidance literature:: With potassium carbonate; In N,N-dimethyl-formamide; at 20 ℃; Product distribution / selectivity;

Reference yield:

: C₂₂H₂₆NO₃⁽¹⁺⁾*Cl^(1-)

: 153567-11-4
2,2,2-trichloroethyl (4'R,7a'R,12b'S)-9'-(benzyloxy)-1',2',4',6'-tetrahydro-3'H,7a'Hspiro[[1,3]dioxolane-2,7'-[4,12]methanobenzofuro[3,2-e]isoquinoline]-3'-carboxylate

Guidance literature:: Multi-step reaction with 3 steps

1.1: sodium t-butanolate; 2,3,3,4,4,5-hexamethyl-2-hexanethiol / dimethyl sulfoxide / 0.75 h / 80 °C / Inert atmosphere

2.1: acetic acid; peracetic acid / water / 0.75 h / 5 - 20 °C

2.2: 15 h / 20 °C / 2587.76 Torr

3.1: potassium carbonate / acetone

With peracetic acid; 2,3,3,4,4,5-hexamethyl-2-hexanethiol; potassium carbonate; acetic acid; sodium t-butanolate; In water; dimethyl sulfoxide; acetone;
DOI:10.1055/s-0034-1378808