Picenadolum

Base Information

Chemical Name:Picenadolum
CAS No.:79201-85-7
Molecular Formula:C₁₆H₂₅NO
Molecular Weight:247.381
Hs Code.:
UNII:TV3535QWTJ
DSSTox Substance ID:DTXSID601018274
Nikkaji Number:J386.467G
Wikipedia:Picenadol
NCI Thesaurus Code:C84057
Mol file:79201-85-7.mol

Synonyms:Lilly 150720;LY 136595;LY 136596;LY 150720;LY 97435;LY 97436;LY-150720;picenadol;picenadol hydrochloride, (trans)-(+)-isomer;picenadol hydrochloride, (trans)-(+-)-isomer;picenadol hydrochloride, (trans)-(-)-isomer;picenadol, (trans)-(+)-isomer;picenadol, (trans)-(-)-isomer

Suppliers and Price of Picenadolum

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

American Custom Chemicals Corporation
PICENADOL 95.00%
5MG
$ 501.60

Total 19 raw suppliers

Chemical Property of Picenadolum

Chemical Property:

Vapor Pressure:1.19E-05mmHg at 25°C
Boiling Point:359°C at 760 mmHg
Flash Point:155.9°C
PSA：23.47000
Density:0.979g/cm³
LogP:3.33960
XLogP3:4.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:247.193614421
Heavy Atom Count:18
Complexity:268

Purity/Quality:

99% ^*data from raw suppliers

PICENADOL 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCC1(CCN(CC1C)C)C2=CC(=CC=C2)O
Isomeric SMILES:CCC[C@]1(CCN(C[C@H]1C)C)C2=CC(=CC=C2)O
Uses Analgesic.

Technology Process of Picenadolum

There total 12 articles about Picenadolum 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:

: 1445-73-4
1-Methyl-4-piperidone

: 79201-85-7,82970-73-8,82999-30-2,97966-14-8,117821-97-3,117821-98-4
picenadol

Guidance literature:: Multi-step reaction with 5 steps

1: 1.) sec-butyllithium / 1.)THF, cyclohexane, -50 deg C, 1 h, 2.) -20 deg C, 1,5 h, RT, 1 h

2: p-toluenesulfonic acid monohydrate / toluene / 2 h / Heating; azeotropic separation of water

3: 1.) n-butyllithium / 1.) THF, hexane, -5 deg C, 15 min, THF/hexane, 2.) -5 deg C, 10 min

4: CH₂Cl₂ / 2.5 h / Ambient temperature

5: 1.) H₂, 2.) 48percent aq. hydrobromic acid / 1.) 5percent Pd/CaCO₃ / 1.) triethylamine, 60 psi, 16 h, 2.) reflux, 6 h

With n-butyllithium; hydrogen bromide; hydrogen; sec.-butyllithium; toluene-4-sulfonic acid; Lindlar's catalyst; In dichloromethane; toluene;
DOI:10.1021/jo00281a019

Reference yield:

: 2398-37-0
3-methoxyphenyl bromide

: 79201-85-7,82970-73-8,82999-30-2,97966-14-8,117821-97-3,117821-98-4
3-((3R,4R)-1,3-Dimethyl-4-propyl-piperidin-4-yl)-phenol

Guidance literature:: Multi-step reaction with 5 steps

1: 1.) sec-butyllithium / 1.)THF, cyclohexane, -50 deg C, 1 h, 2.) -20 deg C, 1,5 h, RT, 1 h

2: p-toluenesulfonic acid monohydrate / toluene / 2 h / Heating; azeotropic separation of water

3: 1.) n-butyllithium / 1.) THF, hexane, -5 deg C, 15 min, THF/hexane, 2.) -5 deg C, 10 min

4: CH₂Cl₂ / 2.5 h / Ambient temperature

5: 1.) H₂, 2.) 48percent aq. hydrobromic acid / 1.) 5percent Pd/CaCO₃ / 1.) triethylamine, 60 psi, 16 h, 2.) reflux, 6 h

With n-butyllithium; hydrogen bromide; hydrogen; sec.-butyllithium; toluene-4-sulfonic acid; Lindlar's catalyst; In dichloromethane; toluene;
DOI:10.1021/jo00281a019

Reference yield:

: 1445-73-4
1-Methyl-4-piperidone

: 79201-85-7,82970-73-8,82999-30-2,97966-14-8,117821-97-3,117821-98-4
3-((3R,4R)-1,3-Dimethyl-4-propyl-piperidin-4-yl)-phenol

Guidance literature:: Multi-step reaction with 5 steps

1: 1.) sec-butyllithium / 1.)THF, cyclohexane, -50 deg C, 1 h, 2.) -20 deg C, 1,5 h, RT, 1 h

2: p-toluenesulfonic acid monohydrate / toluene / 2 h / Heating; azeotropic separation of water

3: 1.) n-butyllithium / 1.) THF, hexane, -5 deg C, 15 min, THF/hexane, 2.) -5 deg C, 10 min

4: CH₂Cl₂ / 2.5 h / Ambient temperature

5: 1.) H₂, 2.) 48percent aq. hydrobromic acid / 1.) 5percent Pd/CaCO₃ / 1.) triethylamine, 60 psi, 16 h, 2.) reflux, 6 h

With n-butyllithium; hydrogen bromide; hydrogen; sec.-butyllithium; toluene-4-sulfonic acid; Lindlar's catalyst; In dichloromethane; toluene;
DOI:10.1021/jo00281a019