Ketorfanol

Base Information

Chemical Name:Ketorfanol
CAS No.:79798-39-3
Molecular Formula:C₂₀H₂₅NO₂
Molecular Weight:311.424
Hs Code.:
UNII:8Z0ZXE70XL
DSSTox Substance ID:DTXSID60868547
Wikipedia:Ketorfanol
Wikidata:Q6395437
NCI Thesaurus Code:C66000
ChEMBL ID:CHEMBL2104366
Mol file:79798-39-3.mol

Synonyms:Ketorfanol;79798-39-3;SBW-22;Ketorfanol [USAN:INN];UNII-8Z0ZXE70XL;8Z0ZXE70XL;17-(Cyclopropylmethyl)-4-hydroxymorphinan-6-one;(1S,9R,10R)-17-(cyclopropylmethyl)-3-hydroxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-13-one;Morphinan-6-one, 17-(cyclopropylmethyl)-4-hydroxy-;SBW 22;KETORFANOL [INN];Ketorfanol (USAN/INN);KETORFANOL [USAN];SCHEMBL125715;CHEMBL2104366;DTXSID60868547;CS-AD-00398;D04653;Q6395437

Suppliers and Price of Ketorfanol

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 5 raw suppliers

Chemical Property of Ketorfanol

Chemical Property:

Vapor Pressure:3.28E-10mmHg at 25°C
Boiling Point:489.6°C at 760 mmHg
Flash Point:249.9°C
PSA：40.54000
Density:1.26g/cm³
LogP:2.97750
XLogP3:2.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:311.188529040
Heavy Atom Count:23
Complexity:502

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1CC1CN2CCC34CC(=O)CCC3C2CC5=C4C(=CC=C5)O
Isomeric SMILES:C1CC(=O)C[C@@]23[C@@H]1[C@@H](CC4=C2C(=CC=C4)O)N(CC3)CC5CC5
Uses Analgesic.

Technology Process of Ketorfanol

There total 8 articles about Ketorfanol 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: 100.0%

: 17-cyclopropylmethyl-4,5α-epoxymorphinan-6-one

: 79798-39-3
17-(cyclopropylmethyl)-4-hydroxymorphinan-6-one

Guidance literature:: With acetic acid; zinc; for 4h; Inert atmosphere; Reflux;
DOI:10.1016/j.bmc.2011.11.047

Reference yield:

: 31769-01-4
(-)-4,5-epoxymorphinan-6-one

: 79798-39-3
17-(cyclopropylmethyl)-4-hydroxymorphinan-6-one

Guidance literature:: Multi-step reaction with 2 steps

1: K₂CO₃ / CHCl₃ / 24 h / 70 °C

2: 73 percent / Zn, NH₄Cl / ethanol / 6 h / Heating

With potassium carbonate; ammonium chloride; zinc; In ethanol; chloroform;
DOI:10.1021/jm00144a013

Reference yield:

: 1357173-13-7
17-cyclopropylmethyl-8,14-didehydro-4,5α-epoxymorphinan-6-spiro-2'-(1',3'-dioxolane)

: 79798-39-3
17-(cyclopropylmethyl)-4-hydroxymorphinan-6-one

Guidance literature:: Multi-step reaction with 3 steps

1.1: platinum(IV) oxide; hydrogen / methanol / 20 h / 20 °C

2.1: hydrogenchloride / water / 1 h / 80 °C / Inert atmosphere

2.2: pH 9

3.1: acetic acid; zinc / 4 h / Inert atmosphere; Reflux

With hydrogenchloride; platinum(IV) oxide; hydrogen; acetic acid; zinc; In methanol; water;
DOI:10.1016/j.bmc.2011.11.047