Name: Name:(2R,3S)-2-[(1R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholine hydrochloride
Brand: AABLOCKS
SKU: AA00HZGV
Rating: 90 (10 reviews)

Technical Information

Catalog Number: AA00HZGV

Chemical Name: (2R,3S)-2-[(1R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholine hydrochloride

CAS Number: 171482-05-6

Molecular Formula: C20H19ClF7NO2

Molecular Weight: 473.8122

MDL Number: MFCD13183776

SMILES: Fc1ccc(cc1)[C@@H]1NCCO[C@@H]1O[C@@H](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C.Cl

Properties

Form: Solid

Storage: Inert atmosphere;Room Temperature;

Complexity: 526

Covalently-Bonded Unit Count: 2

Defined Atom Stereocenter Count: 3

Defined Bond Stereocenter Count: 0

Formal Charge: 0

Heavy Atom Count: 31

Hydrogen Bond Acceptor Count: 10

Hydrogen Bond Donor Count: 2

Isotope Atom Count: 0

Rotatable Bond Count: 4

Undefined Atom Stereocenter Count: 0

Undefined Bond Stereocenter Count: 0

Downstream Synthesis Route

252742-72-6

2R-2α(R*),3α-2-1-3,5-bis(trifluoromethyl)phenylethoxy-3-(4-fluorophenyl)morpholinehydrochloride

170729-80-3

[1]JournaloftheAmericanChemicalSociety,2003,vol.125,p.2129-2135

171482-05-6

155742-64-6

219821-37-1

[1]Brands,KarelM.J.;Payack,JosephF.;Rosen,JonathanD.;Nelson,ToddD.;Candelario,Alexander;Huffman,MarkA.;Zhao,MatthewM.;Li,Jing;Craig,Bridgette;Song,ZhiguoJ.;Tschaen,DavidM.;Hansen,Karl;Devine,PaulN.;Pye,PhilipJ.;Rossen,Kai;Dormer,PeterG.;Reamer,RobertA.;Welch,ChristopherJ.;Mathre,DavidJ.;Tsou,NancyN.;McNamara,JamesM.;Reider,PaulJ.[JournaloftheAmericanChemicalSociety,2003,vol.125,#8,p.2129-2135]

[2]CurrentPatentAssignee:MERCK&COINC-WO2003/89429,2003,A1Locationinpatent:Page/Pagecolumn7-8

352-13-6

287930-75-0

171482-05-6

[1]CurrentPatentAssignee:HANSOHPHARMACEUTICALGROUPCOLTD-CN103030668,2016,BLocationinpatent:Paragraph0037;0038

[2]CurrentPatentAssignee:HAINANXINKAIYUANPHARMATECH-CN112939885,2021,ALocationinpatent:Paragraph0046-0065

[3]Brands,KarelM.J.;Payack,JosephF.;Rosen,JonathanD.;Nelson,ToddD.;Candelario,Alexander;Huffman,MarkA.;Zhao,MatthewM.;Li,Jing;Craig,Bridgette;Song,ZhiguoJ.;Tschaen,DavidM.;Hansen,Karl;Devine,PaulN.;Pye,PhilipJ.;Rossen,Kai;Dormer,PeterG.;Reamer,RobertA.;Welch,ChristopherJ.;Mathre,DavidJ.;Tsou,NancyN.;McNamara,JamesM.;Reider,PaulJ.[JournaloftheAmericanChemicalSociety,2003,vol.125,#8,p.2129-2135]

[4]CurrentPatentAssignee:SHANDONGLUKANGPHARMACEUTICALCO.,LTD.-CN110746371,2020,ALocationinpatent:Paragraph0127-0161

171482-05-6

CASUnavailable

[1]Brands,KarelM.J.;Payack,JosephF.;Rosen,JonathanD.;Nelson,ToddD.;Candelario,Alexander;Huffman,MarkA.;Zhao,MatthewM.;Li,Jing;Craig,Bridgette;Song,ZhiguoJ.;Tschaen,DavidM.;Hansen,Karl;Devine,PaulN.;Pye,PhilipJ.;Rossen,Kai;Dormer,PeterG.;Reamer,RobertA.;Welch,ChristopherJ.;Mathre,DavidJ.;Tsou,NancyN.;McNamara,JamesM.;Reider,PaulJ.[JournaloftheAmericanChemicalSociety,2003,vol.125,#8,p.2129-2135]

30071-93-3

171482-05-6

[1]Brands,KarelM.J.;Payack,JosephF.;Rosen,JonathanD.;Nelson,ToddD.;Candelario,Alexander;Huffman,MarkA.;Zhao,MatthewM.;Li,Jing;Craig,Bridgette;Song,ZhiguoJ.;Tschaen,DavidM.;Hansen,Karl;Devine,PaulN.;Pye,PhilipJ.;Rossen,Kai;Dormer,PeterG.;Reamer,RobertA.;Welch,ChristopherJ.;Mathre,DavidJ.;Tsou,NancyN.;McNamara,JamesM.;Reider,PaulJ.[JournaloftheAmericanChemicalSociety,2003,vol.125,#8,p.2129-2135]

[2]Brands,KarelM.J.;Payack,JosephF.;Rosen,JonathanD.;Nelson,ToddD.;Candelario,Alexander;Huffman,MarkA.;Zhao,MatthewM.;Li,Jing;Craig,Bridgette;Song,ZhiguoJ.;Tschaen,DavidM.;Hansen,Karl;Devine,PaulN.;Pye,PhilipJ.;Rossen,Kai;Dormer,PeterG.;Reamer,RobertA.;Welch,ChristopherJ.;Mathre,DavidJ.;Tsou,NancyN.;McNamara,JamesM.;Reider,PaulJ.[JournaloftheAmericanChemicalSociety,2003,vol.125,#8,p.2129-2135]

[3]Brands,KarelM.J.;Payack,JosephF.;Rosen,JonathanD.;Nelson,ToddD.;Candelario,Alexander;Huffman,MarkA.;Zhao,MatthewM.;Li,Jing;Craig,Bridgette;Song,ZhiguoJ.;Tschaen,DavidM.;Hansen,Karl;Devine,PaulN.;Pye,PhilipJ.;Rossen,Kai;Dormer,PeterG.;Reamer,RobertA.;Welch,ChristopherJ.;Mathre,DavidJ.;Tsou,NancyN.;McNamara,JamesM.;Reider,PaulJ.[JournaloftheAmericanChemicalSociety,2003,vol.125,#8,p.2129-2135]

171482-05-6 | (2R,3S)-2-[(1R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholine hydrochloride