Orvepitant

Base Information

Chemical Name:Orvepitant
CAS No.:579475-18-6
Molecular Formula:C31H35F7N4O2
Molecular Weight:628.633
Hs Code.:
UNII:IIU6V0W3JD
DSSTox Substance ID:DTXSID40973522
Nikkaji Number:J3.226.352F
Wikipedia:Orvepitant
Wikidata:Q27280750
NCI Thesaurus Code:C90613
Pharos Ligand ID:XTL4GX26Y95R
Metabolomics Workbench ID:153417
ChEMBL ID:CHEMBL2105667
Mol file:579475-18-6.mol

Synonyms:orvepitant

Suppliers and Price of Orvepitant

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 Orvepitant

Chemical Property:

Boiling Point:627.5±55.0 °C(Predicted)
PKA:8.89±0.20(Predicted)
PSA：47.10000
Density:1.37±0.1 g/cm3(Predicted)
LogP:6.61050
XLogP3:5.4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:4
Exact Mass:628.26482351
Heavy Atom Count:44
Complexity:1020

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=C(C=CC(=C1)F)C2CC(CCN2C(=O)N(C)C(C)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)N4CCN5C(C4)CCC5=O
Isomeric SMILES:CC1=C(C=CC(=C1)F)[C@H]2C[C@H](CCN2C(=O)N(C)[C@H](C)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)N4CCN5[C@H](C4)CCC5=O
Recent ClinicalTrials:A Pharmacokinetic Study of the Effect of Itraconazole Exposure to Orvepitant in Healthy Volunteers
Recent EU Clinical Trials:A DOUBLE-BLIND, RANDOMISED, PLACEBO CONTROLLED, TWO PERIOD CROSS-OVER STUDY TO EVALUATE THE EFFICACY AND SAFETY OF ORVEPITANT IN CHRONIC COUGH IN PATIENTS WITH IDIOPATHIC PULMONARY FIBROSIS

Technology Process of Orvepitant

There total 1 articles about Orvepitant 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:

: 414910-03-5
(2R)-N-{(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl}-2-(4-fluoro-2-methylphenyl)-N-methyl-4-oxo-1-piperidinecarboxamide

: 579475-96-0
(8aS)-hexahydropyrrolo[1,2-a]pyrazin-6(2H)-one (2S)-(acetyloxy)(phenyl)ethanoic acid

: 579475-18-6
Orvepitant

Guidance literature:: (8aS)-hexahydropyrrolo[1,2-a]pyrazin-6(2H)-one (2S)-(acetyloxy)(phenyl)ethanoic acid; With formic acid; sodium tris(acetoxy)borohydride; triethylamine; In acetonitrile; at 10 - 20 ℃;

(2R)-N-{(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl}-2-(4-fluoro-2-methylphenyl)-N-methyl-4-oxo-1-piperidinecarboxamide; In ethyl acetate; acetonitrile; at 20 ℃; for 16h; Product distribution / selectivity;

Reference yield:

: 579475-18-6
Orvepitant

: 110-16-7,26099-09-2
maleic acid

: 579475-24-4
2-(R)-(4-fluoro-2-methylphenyl)-4-(S)-((8aS)-6-oxo-hexahydropyrrolo[1,2-a]pyrazin-2-yl)-piperidine-1-carboxylic acid [1-(R)-(3,5-bis-trifluoromethylphenyl)ethyl]methylamide maleate

Guidance literature:: Orvepitant; maleic acid; In isopropyl alcohol; for 1h;

Product distribution / selectivity; Industry scale;

Reference yield:

: 579475-18-6
Orvepitant

: 110-16-7,26099-09-2
maleic acid

: 1190692-55-7
(2R,4R)-N-{(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl}-2-(4-fluoro-2-methylphenyl)-N-methyl-4-[(8aS)-6-oxohexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl]-1-piperidinecarboxamide maleate

: 579475-24-4
2-(R)-(4-fluoro-2-methylphenyl)-4-(S)-((8aS)-6-oxo-hexahydropyrrolo[1,2-a]pyrazin-2-yl)-piperidine-1-carboxylic acid [1-(R)-(3,5-bis-trifluoromethylphenyl)ethyl]methylamide maleate

Guidance literature:: Orvepitant; maleic acid; In isopropyl alcohol; for 2.5h;

In 2,2,4-trimethylpentane; isopropyl alcohol; for 3.33333h; Product distribution / selectivity;