4877-10-5

Basic information

• Product Name: 8-(azepan-1-yl)-3-methyl-7-{2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]ethyl}-3,7-dihydro-1H-purine-2,6-dione
• CAS NO: 4877-10-5
• Molecular Formula: C₁₉H₂₄O₂
• Molecular Weight: 467.5473
• Mol File: 4877-10-5.mol
• Article Data: 4

Chemical Properties

• Density: 1.54g/cm³
• Refractive Index: 1.78
• CAS DataBase Reference: 8-(azepan-1-yl)-3-methyl-7-{2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]ethyl}-3,7-dihydro-1H-purine-2,6-dione(CAS DataBase Reference)
• NIST Chemistry Reference: 8-(azepan-1-yl)-3-methyl-7-{2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]ethyl}-3,7-dihydro-1H-purine-2,6-dione(4877-10-5)
• EPA Substance Registry System: 8-(azepan-1-yl)-3-methyl-7-{2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]ethyl}-3,7-dihydro-1H-purine-2,6-dione(4877-10-5)

Safety Data

• Hazardous Substances Data: 4877-10-5(Hazardous Substances Data)

Upstream product

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• 74882-32-9 1,5-bis(4-methoxyphenyl)pentan-3-one 
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Downstream Products

• 127660-78-0 1,5-bis-3-(3-iodo-4-methoxyphenyl)pentane 
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• 136577-67-8 1,5-bis<3-(1-hydroxyethyl)-4-methoxyphenyl>pentane 
• 135019-28-2 9,15-bis(2-phenylethenyl)<2^12,13><5.2>metacyclophane 
• 135019-23-7 1,5-bis(3-vinyl-4-methoxyphenyl)pentane 
• 136559-20-1 1,5-bis(3-acetyl-4-methoxyphenyl)pentane 

Relevant articles and documents

Synthesis and Structures of [2.n]Metacyclophan-1-enes and their Conversion to Highly Strained [2.n]Metacyclophane-1-ynes

The syntheses of syn-[2.n]metacyclophan-1-enes (n = 5, 6, 8) in good yields using the McMurry cyclization of 1,n-bis(3-formyl-4-methoxyphenyl)alkanes are reported. Conversion of syn-[2.6]- and [2.8]metacyclophan-1-enes to the corresponding highly strained syn-type [2.6]- and [2.8]metacyclophane-1-ynes was achieved by successive bromination and dehydrobromination reactions. An attempted trapping reaction of the putative corresponding [2.5]metacyclophane-1-yne by Diels–Alder reaction with 1,3-diphenylisobenzofuran failed due to its smaller ring size and strained structure. X-ray crystallographic analyses show that the triple bonds in syn-[2.6]- and [2.8]metacyclophane-1-ynes are distorted from linearity with bond angles of 156.7° and 161.4°, respectively. A DFT (Density Functional Theory) computational study was conducted to determine the stabilities of different conformations of the target compounds.

Bisbenzoxazines and pharmaceutical use

Compounds of the formula: STR1 wherein, R is H, alkyl, cycloalkyl, aryl, or heteroaryl; R1 is H, alkyl, cycloalkyl, aryl, heteroaryl, substituted heteroaryl, aralkyl, substituted aryl, halo, OR2, SR2, NR2, CF3, NO2, CN, COOR2, CHO, SO3 H or SO2 NH2, wherein R2 is H, methyl, ethyl or propyl; Y is STR2 Z is O, S, NH or CH2 ; X is --CH2 --, STR3 or --(CH2)n CHOH(CH2)n --; wherein R2 is H, methyl, ethyl or propyl; n is 1-10, and pharmaceutically acceptable salts thereof have antiallergy and antiinflammatory activity.