141364-05-8

Basic information

• Product Name: sodium 11-{[2-(4-benzylpiperidin-1-yl)ethyl]sulfanyl}-6,11-dihydrodibenzo[b,e]oxepine-2-carboxylate
• Synonyms: dibenz[b,e]oxepin-2-carboxylic acid, 6,11-dihydro-11-[[2-[4-(phenylmethyl)-1-piperidinyl]ethyl]thio]-, sodium salt (1:1)
• CAS NO: 141364-05-8
• Molecular Formula: C₂₉H₃₀NO₃S*Na
• Molecular Weight: 495.6082
• Mol File: 141364-05-8.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 644.7°C at 760 mmHg
• Flash Point: 343.7°C
• Vapor Pressure: 1.68E-17mmHg at 25°C
• CAS DataBase Reference: sodium 11-{[2-(4-benzylpiperidin-1-yl)ethyl]sulfanyl}-6,11-dihydrodibenzo[b,e]oxepine-2-carboxylate(CAS DataBase Reference)
• NIST Chemistry Reference: sodium 11-{[2-(4-benzylpiperidin-1-yl)ethyl]sulfanyl}-6,11-dihydrodibenzo[b,e]oxepine-2-carboxylate(141364-05-8)
• EPA Substance Registry System: sodium 11-{[2-(4-benzylpiperidin-1-yl)ethyl]sulfanyl}-6,11-dihydrodibenzo[b,e]oxepine-2-carboxylate(141364-05-8)

Safety Data

• Hazardous Substances Data: 141364-05-8(Hazardous Substances Data)

Upstream product

• 31252-42-3 4-benzylpyperidine 
• 140836-73-3 11-<(2-hydroxyethyl)thio>-6,11-dihydrobenzoxepin-2-carboxylic acid methyl ester 
• 79670-00-1 methyl 11-methoxy-6,11-dihydrodibenz[b,e]oxepin-2-carboxylate 
• 79669-87-7 methyl 11-oxo-6,11-dihydrodibenz[b,e]oxepin-2-carboxylate 
• 140836-74-4 methyl (+/-)-11-<2-(4-benzyl-1-piperidinyl)ethyl>thio-6,11-dihydrodibenzoxepine-2-carboxylate 

Relevant articles and documents

Enzymatic optical resolution of dibenzoxepins and its application to an optically active antiallergic agent with thromboxane A2 receptor antagonistic activity.

Methyl (+/-)-11-(2-hydroxyethyl)thio-6,11-dihydrodibenz[b,e]oxepin- 2- carboxylate (5) was enantio-selectively acylated with acetic anhydride in an organic medium by Lipase Amano P to give methyl (-)-11-(2-acetoxyethyl)thio-6,11-dihydrodibenz[b,e]oxepin-2- carboxylate (8), and the (+)-enantiomer by Lipase Sigma Type VII. Using Lipase Amano P, (+)- and (-)-(5) could be prepared with high optical purity (84-94% e.e.). These products were respectively converted to (+)- and (-)-KW-4099, which had antiallergic activity with complete retention of the optical purity.