113771-46-3

Basic information

• Product Name: 2H-1-Benzopyran-3-methanol, 3,4-dihydro-, 4-methylbenzenesulfonate
• CAS NO: 113771-46-3
• Molecular Formula: C17H18O4S
• Molecular Weight: 318.394
• Mol File: 113771-46-3.mol
• Article Data: 3

Chemical Properties

• CAS DataBase Reference: 2H-1-Benzopyran-3-methanol, 3,4-dihydro-, 4-methylbenzenesulfonate(CAS DataBase Reference)
• NIST Chemistry Reference: 2H-1-Benzopyran-3-methanol, 3,4-dihydro-, 4-methylbenzenesulfonate(113771-46-3)
• EPA Substance Registry System: 2H-1-Benzopyran-3-methanol, 3,4-dihydro-, 4-methylbenzenesulfonate(113771-46-3)

Safety Data

• Hazardous Substances Data: 113771-46-3(Hazardous Substances Data)

Upstream product

• 491-37-2 2,3-dihydro-4H-1-benzopyran-4-one 
• 68281-60-7 chroman-3-carboxylic acid methyl ester 
• 76727-28-1 hydroxymethyl-3 chromanne 
• 98-59-9 p-toluenesulfonyl chloride 

Relevant articles and documents

Synthesis and Structure-Activity Relationships of Triazaspirodecanone Derivatives as Nociceptin/Orphanin FQ Receptor Ligands

Several spiroxatrine derivatives were synthesized and evaluated as potential NOP receptor ligands. Structural modifications of the 1,4-benzodioxane moiety of spiroxatrine have been the focus of this research project. The structure-activity relationships that emerged indicate that the presence of an H-bond donor group (hydroxyl group) is more favorable for NOP activity when it is positioned α with respect to the CH2 linked to the 1-phenyl-1,3,8-triaza-spiro[4.5]decan-4-one portion. Moreover, cis diastereoisomers of the hydroxyl derivatives4 and 22 show a moderately higher degree of stereoselectivity than trans isomers. In particular, the spiropiperidine derivative cis-4 has submicromolar agonistic activity, and it will be the reference compound for the design and synthesis of new NOP agonists.

Hydrogenated 1-benzooxacycloalkylpyridinecarboxylic acid compounds

The invention relates to novel hydrogenated 1-benzooxacycloalkylpyridinecarboxylic acid compounds of formula STR1 in which the variable R1, R2, R3, R4, R5, alk, X, Z, m, n and p, the dotted line and t