124907-31-9

Basic information

• Product Name: Dibenz[b,e]oxepin-2-carboxylicacid, 6,11-dihydro-11-[[2-[4-(phenylmethyl)-1-piperidinyl]ethyl]thio]-, sodiumsalt (1:1)
• Synonyms: Dibenz[b,e]oxepin-2-carboxylicacid, 6,11-dihydro-11-[[2-[4-(phenylmethyl)-1-piperidinyl]ethyl]thio]-, sodiumsalt (9CI); KW 4099
• CAS NO: 124907-31-9
• Molecular Formula: C29H31 N O3 S . Na
• Molecular Weight: 495.618
• Mol File: 124907-31-9.mol
• Article Data: 2

Chemical Properties

• CAS DataBase Reference: Dibenz[b,e]oxepin-2-carboxylicacid, 6,11-dihydro-11-[[2-[4-(phenylmethyl)-1-piperidinyl]ethyl]thio]-, sodiumsalt (1:1)(CAS DataBase Reference)
• NIST Chemistry Reference: Dibenz[b,e]oxepin-2-carboxylicacid, 6,11-dihydro-11-[[2-[4-(phenylmethyl)-1-piperidinyl]ethyl]thio]-, sodiumsalt (1:1)(124907-31-9)
• EPA Substance Registry System: Dibenz[b,e]oxepin-2-carboxylicacid, 6,11-dihydro-11-[[2-[4-(phenylmethyl)-1-piperidinyl]ethyl]thio]-, sodiumsalt (1:1)(124907-31-9)

Safety Data

• Hazardous Substances Data: 124907-31-9(Hazardous Substances Data)

Upstream product

• 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 
• 31252-42-3 4-benzylpyperidine 
• 141423-66-7 methyl (+/-)-11-<2-(4-benzyl-1-piperidinyl)ethyl>thio-6,11-dihydrodibenzoxepine-2-carboxylate, 1 fumarate 

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.