313653-37-1

Basic information

• Product Name: 2-Oxazolidinone, 4-methyl-3-[(4R)-4-methyl-1-oxooctyl]-5-phenyl-, (4R,5S)-
• CAS NO: 313653-37-1
• Molecular Formula: C19H27NO3
• Molecular Weight: 317.428
• Mol File: 313653-37-1.mol
• Article Data: 10

Chemical Properties

• CAS DataBase Reference: 2-Oxazolidinone, 4-methyl-3-[(4R)-4-methyl-1-oxooctyl]-5-phenyl-, (4R,5S)-(CAS DataBase Reference)
• NIST Chemistry Reference: 2-Oxazolidinone, 4-methyl-3-[(4R)-4-methyl-1-oxooctyl]-5-phenyl-, (4R,5S)-(313653-37-1)
• EPA Substance Registry System: 2-Oxazolidinone, 4-methyl-3-[(4R)-4-methyl-1-oxooctyl]-5-phenyl-, (4R,5S)-(313653-37-1)

Safety Data

• Hazardous Substances Data: 313653-37-1(Hazardous Substances Data)

Upstream product

• 79-37-8 oxalyl dichloride 
• 54947-74-9 (4R)-4-Methyloctanoic acid 
• 70-07-5 mephenoxalone 
• 77943-39-6 4-methyl-5-phenyloxazolidin-2-one 
• 137175-11-2 (R)-4-methyl-octanoyl chloride 
• 171627-77-3 (6R)-2,6-Dimethyl-2-decene 
• 10340-84-8 (S)-citronellyl bromide 

Downstream Products

• 313653-38-2 (3S,5R)-5-Methyl-3-((4R,5S)-4-methyl-2-oxo-5-phenyl-oxazolidine-3-carbonyl)-nonanoic Acid Tert-butyl Ester 

Relevant articles and documents

Diastereoselective, large-scale synthesis of β-amino acids via asymmetric aza-Michael addition as α2δ ligands for the treatment of generalized anxiety disorder and insomnia

Scalable synthetic routes to β-amino acids 1 and 2 are presented. These two compounds, which bind to the α2δ subunit of calcium channels and have important medical applications, have been prepared on kilogram scale in our pilot plant through an improved synthesis that avoids the use of highly toxic reagents and hazardous chemistry present in the original Medicinal Chemistry route. The two chiral centers are introduced through asymmetric Michael and aza-Michael reactions with excellent diastereoselectivity.

Combinations comprising alpha-2-delta ligands

The instant invention relates to a combination, particularly a synergistic combination, of an alpha-2-delta ligand and a dual serotonin-noradrenaline re-uptake inhibitor (DSNRI) or one or both of a selective serotonin re-uptake inhibitor (SSRI) and a selective noradrenaline re-uptake inhibitor (SNRI), and pharmaceutically acceptable salths thereof, pharmaceutical compositions thereof and their use in the treatment of pain, particularly neuropathic pain.

Alpha2delta ligands for fibromyalgia and other disorders

This invention relates to a method of treating a disorder selected from OCD, agoraphobia, agoraphobia without history of panic disorder, specific phobia, social phobia, PTSD, restless legs syndrome, premenstrual dysphoric disorder, hot flashes, and fibromyalgia by administering a compound of the formula 1 or a pharmaceutically acceptable salt thereof, wherein: R1 is hydrogen, straight or branched alkyl of from 1 to 6 carbon atoms or phenyl; and R2 is straight or branched alkyl of from 4 to 8 carbon atoms, straight or branched alkenyl of from 2 to 8 carbon atoms, cycloalkyl of from 3 to 7 carbon atoms, alkoxy of from 1 to 6 carbon atoms, -alkylcycloalkyl, -alkylalkoxy, -alkyl OH, -alkylphenyl, -alkylphenoxy, or -substituted phenyl. The invention also relates to a method of treating the above disorders by administering the compound (3S, 5R)-3-Aminomethyl-5-methyl-octanoic acid