92671-67-5

Basic information

• Product Name: 1,5-dihydro-3-isopropyl-8-methyl-[1,3]dioxepino[5,6-c]pyridin-9-yl acetate
• Synonyms: 1,5-dihydro-3-isopropyl-8-methyl-[1,3]dioxepino[5,6-c]pyridin-9-yl acetate;Acetic acid [1,5-dihydro-8-methyl-3-(1-methylethyl)[1,3]dioxepino[5,6-c]pyridin]-9-yl ester
• CAS NO: 92671-67-5
• Molecular Formula: C₁₄H₁₉NO₄
• Molecular Weight: 265.30496
• EINECS: 296-417-2
• Mol File: 92671-67-5.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 373.3°Cat760mmHg
• Flash Point: 179.5°C
• Appearance: /
• Density: 1.127g/cm³
• Vapor Pressure: 9.07E-06mmHg at 25°C
• Refractive Index: 1.504
• CAS DataBase Reference: 1,5-dihydro-3-isopropyl-8-methyl-[1,3]dioxepino[5,6-c]pyridin-9-yl acetate(CAS DataBase Reference)
• NIST Chemistry Reference: 1,5-dihydro-3-isopropyl-8-methyl-[1,3]dioxepino[5,6-c]pyridin-9-yl acetate(92671-67-5)
• EPA Substance Registry System: 1,5-dihydro-3-isopropyl-8-methyl-[1,3]dioxepino[5,6-c]pyridin-9-yl acetate(92671-67-5)

Safety Data

• Hazardous Substances Data: 92671-67-5(Hazardous Substances Data)

Usage

Molecular Weight

329.36 g/mol

Structure

A heterocyclic ring system comprising a dioxepino-pyridinyl moiety, an isopropyl substituent, a methyl substituent, and an ester group (acetate).

Functional Groups

Ester (acetate), heterocyclic ring system (dioxepino-pyridinyl), isopropyl, and methyl.

Stereochemistry

The presence of isopropyl and methyl groups may introduce stereoisomerism, but the specific stereochemistry is not provided in the material.

Solubility

The solubility of this compound is not mentioned in the material, but it is likely to be influenced by the ester and heterocyclic groups.

Stability

The stability of the compound is not explicitly mentioned, but the presence of an ester group suggests it may be sensitive to hydrolysis.

Pharmacological or Biological Activities

Potential activities are suggested due to the unique structure, but further research is needed to determine specific properties and applications.

Synthesis

The synthesis method for this compound is not provided in the material, but it likely involves the formation of the heterocyclic ring system and subsequent functionalization with the isopropyl, methyl, and acetate groups.

Reactivity

The reactivity of the compound is not specified in the material, but the presence of an ester group suggests it may be susceptible to nucleophilic attack and hydrolysis.

InChI:InChI=1/C14H19NO4/c1-8(2)14-17-6-11-5-15-9(3)13(19-10(4)16)12(11)7-18-14/h5,8,14H,6-7H2,1-4H3

Upstream product

• 108-24-7 acetic anhydride 
• 1622-67-9 4,5'-O-isobutylidenepyridoxine 
• 5006-20-2 5-ethoxy-4-methyl-oxazole 
• 5417-35-6 2-isopropyl-4,7-dihydro-[1,3]dioxepine 

Downstream Products

• 65-23-6 5-hydroxy-6-methyl-3,4-pyridinedimethanol 

Relevant articles and documents

Preparation method of high content vitamin B6

The invention relates to a preparation method of a high content vitamin B6. According to the method, 1,5-dihydro-3,3-disubstituent group-8-methyl-9-alkyl carbonyl oxypyrido [3,4-e]-1,3-dioxane is prepared by the Diels-Alder addition reaction, aromatization reaction and esterification reaction of 4-methyl-5-alkoxyl-oxazole and 2,2-disubstituent group-4,7-dihydro-1,3-dioxepine in the presence of ananhydride through the "one-pot method", and then vitamin B6 is prepared by deprotection. According to the method, the stability of the raw materials of 4-methyl-5-alkoxyl-oxazole and 2,2-disubstituentgroup-4,7-dihydro-1,3-dioxepine are ensured, the reaction is thorough, and the selectivity is high, so that the method provides guarantees for the preparation of high content medicinal vitamin B6.