Methanone, ((3S,4R)-4-(2,4-difluorophenyl)-1-(1,1-dimethylethyl)-3-pyrrolidinyl)((3R,5S)-4-hydroxy-3,5-dimethyl-4-phenyl-1-piperidinyl)-

Base Information

Chemical Name:Methanone, ((3S,4R)-4-(2,4-difluorophenyl)-1-(1,1-dimethylethyl)-3-pyrrolidinyl)((3R,5S)-4-hydroxy-3,5-dimethyl-4-phenyl-1-piperidinyl)-
CAS No.:862281-92-3
Molecular Formula:C₂₈H₃₆F₂N₂O₂
Molecular Weight:470.603
Hs Code.:
UNII:63P236Z73I
ChEMBL ID:CHEMBL1090488
DSSTox Substance ID:DTXSID701030106
Metabolomics Workbench ID:153492
Wikipedia:PF-00446687

Synonyms:1-((1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidin-3-yl)carbonyl)-3,5-dimethyl-4-phenylpiperidin-4-ol;PF 00446687;PF-00446687;PF-446687;PF00446687

Suppliers and Price of Methanone, ((3S,4R)-4-(2,4-difluorophenyl)-1-(1,1-dimethylethyl)-3-pyrrolidinyl)((3R,5S)-4-hydroxy-3,5-dimethyl-4-phenyl-1-piperidinyl)-

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 7 raw suppliers

Chemical Property of Methanone, ((3S,4R)-4-(2,4-difluorophenyl)-1-(1,1-dimethylethyl)-3-pyrrolidinyl)((3R,5S)-4-hydroxy-3,5-dimethyl-4-phenyl-1-piperidinyl)-

Chemical Property:

XLogP3:4.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:470.27448472
Heavy Atom Count:34
Complexity:708

Purity/Quality:: 97% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1CN(CC(C1(C2=CC=CC=C2)O)C)C(=O)C3CN(CC3C4=C(C=C(C=C4)F)F)C(C)(C)C
Isomeric SMILES:C[C@@H]1CN(C[C@@H](C1(C2=CC=CC=C2)O)C)C(=O)[C@@H]3CN(C[C@H]3C4=C(C=C(C=C4)F)F)C(C)(C)C
Recent ClinicalTrials:Study To Investigate Effect Of A New Drug (PF-00446687) In Post-Menopausal Women Who Suffer From Sexual Dysfunction.
Recent EU Clinical Trials:PHASE 2A MULTI-CENTRE, DOUBLE BLIND (3RD PARTY OPEN), PLACEBO CONTROLLED 3-WAY CROSS-OVER STUDY TO INVESTIGATE THE EFFECT OF SINGLE DOSES OF PF-00446687 ON SEXUAL AROUSAL AND SEXUAL DESIRE IN WOMEN SUFFERING FROM FEMALE SEXUAL DYSFUNCTION (FSD).

Technology Process of Methanone, ((3S,4R)-4-(2,4-difluorophenyl)-1-(1,1-dimethylethyl)-3-pyrrolidinyl)((3R,5S)-4-hydroxy-3,5-dimethyl-4-phenyl-1-piperidinyl)-

There total 5 articles about Methanone, ((3S,4R)-4-(2,4-difluorophenyl)-1-(1,1-dimethylethyl)-3-pyrrolidinyl)((3R,5S)-4-hydroxy-3,5-dimethyl-4-phenyl-1-piperidinyl)- 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: 77.0%

: (3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carboxylic acid hydrochloride salt

: 862281-96-7
(3R,4s,5S)-3,5-dimethyl-4-phenylpiperidin-4-ol

: 862281-92-3
(3R,4R,5S)-1-{[(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidin-3-yl]carbonyl}-3,5-dimethyl-4-phenylpiperidin-4-ol

Guidance literature:: With 4-methyl-morpholine; O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; In dichloromethane; at 20 ℃; for 18h; Product distribution / selectivity;

Reference yield:

: 862281-96-7
(3R,4s,5S)-3,5-dimethyl-4-phenylpiperidin-4-ol

: C₁₅H₁₈ClF₂NO

: 862281-92-3
(3R,4s,5S)-1-{[(3R*,4R*)1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidin-3-yl]carbonyl}-3,5-dimethyl-4-phenylpiperidin-4-ol

Guidance literature:: With triethylamine; In dichloromethane; at 20 ℃; for 24.1667h;

Reference yield:

: 455957-94-5
(3S,4R)-N-tert-butyl-4-(2,4-difluoro-phenyl)-pyrrolidine-3-carboxylic acid

: 862281-96-7
(3R,4s,5S)-3,5-dimethyl-4-phenylpiperidin-4-ol

: 862281-92-3
(3R,4R,5S)-1-{[(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidin-3-yl]carbonyl}-3,5-dimethyl-4-phenylpiperidin-4-ol

Guidance literature:: (3S,4R)-N-tert-butyl-4-(2,4-difluoro-phenyl)-pyrrolidine-3-carboxylic acid; (3R,4s,5S)-3,5-dimethyl-4-phenylpiperidin-4-ol; With 2,4,6-tripropyl-1,3,5,2,4,6-trioxatriphosphinane-2,4,6-trioxide; triethylamine; In 1,4-dioxane; dichloromethane; ethyl acetate; at 0 - 20 ℃; for 1h;

With acetic acid; In dichloromethane; ethyl acetate; at 20 ℃; for 1h;

With potassium carbonate; In dichloromethane; water; ethyl acetate; at 20 ℃; for 2h; Product distribution / selectivity;