1372180-09-0

Basic information

• Product Name: 1-{[(6S,7R)-7-(4-chloro-3-fluorophenyl)-1,4-oxazepan-6-yl]methyl}-2-oxo-1,2-dihydropyridine-3-carboxylic acid hydrochloride
• Synonyms: 1-{[(6S,7R)-7-(4-chloro-3-fluorophenyl)-1,4-oxazepan-6-yl]methyl}-2-oxo-1,2-dihydropyridine-3-carboxylic acid hydrochloride
• CAS NO: 1372180-09-0
• Molecular Weight: 417.264
• Mol File: 1372180-09-0.mol
• Article Data: 3

Chemical Properties

• CAS DataBase Reference: 1-{[(6S,7R)-7-(4-chloro-3-fluorophenyl)-1,4-oxazepan-6-yl]methyl}-2-oxo-1,2-dihydropyridine-3-carboxylic acid hydrochloride(CAS DataBase Reference)
• NIST Chemistry Reference: 1-{[(6S,7R)-7-(4-chloro-3-fluorophenyl)-1,4-oxazepan-6-yl]methyl}-2-oxo-1,2-dihydropyridine-3-carboxylic acid hydrochloride(1372180-09-0)
• EPA Substance Registry System: 1-{[(6S,7R)-7-(4-chloro-3-fluorophenyl)-1,4-oxazepan-6-yl]methyl}-2-oxo-1,2-dihydropyridine-3-carboxylic acid hydrochloride(1372180-09-0)

Safety Data

• Hazardous Substances Data: 1372180-09-0(Hazardous Substances Data)

Upstream product

• 10128-91-3 methyl-2-oxo-1,2-dihydro-3-pyridinecarbonitrile 
• 1372187-16-0 (6S,7R)-tert-butyl 7-(4-chloro-3-fluorophenyl)-6-((3-(methoxycarbonyl)-2-oxopyridin-1(2H)-yl)methyl)-1,4-oxazepane-4-carboxylate 
• 34328-61-5 3-Chloro-4-fluorobenzaldehyde 
• 10128-91-3 methyl 2-hydroxynicotinate 
• 1372187-07-9 (6S,7R)-tert-butyl 7-(4-chloro-3-fluorophenyl)-6-((methylsulfonyloxy)methyl)-1,4-oxazepane-4-carboxylate 
• 1372189-41-7 tert-butyl (6S,7R)-7-(3,4-dichlorophenyl)-6-(hydroxymethyl)-1,4-oxazepane-4-carboxylate 

Relevant articles and documents

Development of a Practical Synthesis of a Peripherally Selective Noradrenaline Reuptake Inhibitor Possessing a Chiral 6,7-trans-Disubstituted-1,4-oxazepane as a Scaffold

A practical synthesis of a peripherally selective noradrenaline reuptake inhibitor that has a chiral 6,7-trans-disubstituted-1,4-oxazepane as a new class of scaffold is described. The amino alcohol possessing the desired stereochemistry was obtained with excellent dr and ee, starting from a commercially available aldehyde via a Morita-Baylis-Hillman reaction, Michael addition, isolation as maleic acid salt, reduction, and diastereomeric salt formation with (+)-10-camphorsulfonic acid. The desired single stereoisomer obtained at an early stage of the synthesis was used for seven-membered ring formation in fully telescoped processes, providing the chiral 6,7-trans-disubstituted-1,4-oxazepane efficiently. In addition to controls of dr and ee of the chiral 1,4-oxazepane, and control of N,O-selectivity in SN2 reaction of the intermediate mesylate with a pyridone derivative, finding appropriate intermediates that were amenable to isolation and upgrade of purity enabled a practical chiral HPLC separation-free, column chromatograph-free synthesis of the drug candidate with excellent chemical and optical purities in a higher overall yield.

HETEROCYCLIC COMPOUNDS

Provided is a compound having a monoamine reuptake inhibitory activity, which is represented by the formula (I) wherein ring A is an optionally substituted 6-membered aromatic ring, ring B is the substituents on ring A are optionally bonded to form, together with ring A, an optionally substituted 9- or 10-membered aromatic fused ring, and other symbols are as defined in the specification, or a salt thereof.