170729-72-3

Basic information

• Product Name: Benzoic acid, 3,5-bis(trifluoromethyl)-, (2R,3S)-3-phenyl-4-(phenylmethyl)-2-morpholinyl ester
• CAS NO: 170729-72-3
• Molecular Formula: C26H21F6NO3
• Molecular Weight: 509.448
• Mol File: 170729-72-3.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: Benzoic acid, 3,5-bis(trifluoromethyl)-, (2R,3S)-3-phenyl-4-(phenylmethyl)-2-morpholinyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: Benzoic acid, 3,5-bis(trifluoromethyl)-, (2R,3S)-3-phenyl-4-(phenylmethyl)-2-morpholinyl ester(170729-72-3)
• EPA Substance Registry System: Benzoic acid, 3,5-bis(trifluoromethyl)-, (2R,3S)-3-phenyl-4-(phenylmethyl)-2-morpholinyl ester(170729-72-3)

Safety Data

• Hazardous Substances Data: 170729-72-3(Hazardous Substances Data)

Upstream product

• 785-56-8 3,5-bis(trifluoromethyl)phenyl carboxylic acid chloride 
• 159706-35-1 (S)-4-benzyl-3-phenylmorpholin-2-one 

Downstream Products

• 170729-73-4 2-(R)-(1-(3,5-bis(tri-fluoromethyl)phenyl)ethenyloxy)-3-(S)-phenyl-4-benzyl morpholine 
• 170729-76-7 aprepitant 
• 170729-76-7 5-{(2R,3S)-2-[(S)-1-(3,5-Bis-trifluoromethyl-phenyl)-ethoxy]-3-phenyl-morpholin-4-ylmethyl}-2,4-dihydro-[1,2,4]triazol-3-one 
• 171338-33-3 [2R-[2α(R*),3α]]-2-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-phenylmorpholine 
• 170729-74-5 2-(R)-(1-(S)-(3,5-bis(tri-fluoromethyl)phenyl)ethoxy)-3-(S)-phenyl morpholine 

Relevant articles and documents

Structural optimization affording 2-(R)-(1-(R)-3,5- bis(trifluoromethyl)phenylethoxy)-3'-(S)-(4-fluoro)phenyl-4-(3-oxo-1,2,4- triazol-5-yl)methylmorpholine, a potent, orally active, long-acting morpholine acetal human NK-1 receptor antagonist

Structural modifications requiring novel synthetic chemistry were made to the morpholine acetal human neurokinin-1 (hNK-1) receptor antagonist 4, and this resulted in the discovery of 2-(R)-(1-(R)-3,5- bis(trifluoromethyl)phenylethoxy)-3-(S)-(4-fluoro)phe