92671-67-5

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 1,5-dihydro-3-isopropyl-8-methyl-[1,3]dioxepino[5,6-c]pyridin-9-yl acetate 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 1,5-dihydro-3-isopropyl-8-methyl-[1,3]dioxepino[5,6-c]pyridin-9-yl acetate 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 academic research and scientific papers

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.

MANUFACTURE OF VITAMIN B6

A process for manufacturing a 3-unsubstituted, 3-monosubstituted or 3,3-disubstituted 9-acyloxy-1,5-dihydro-8--methylpyrido[3,4-e] [1,3]dioxepin (I) and optionally for manufacturing pyridoxine involves performing an addition reaction between a 4-methyl-5-alkoxy-oxazole (II) and a 2-unsubstituted, 2-monosubstituted or 2,2-disubstituted 4,7-dihydro-(1,3)-dioxepin (III) in the substantial absence of a solvent and a catalyst to give a product mixture consisting essentially of the appropriate Diels-Alder adduct (IV) in a major proportion and the appropriate 3--unsubstituted, 3-monosubstituted or 3,3-disubstituted 1,5-dihydro-8-methylpyrido[3,4-e] [1,3]dioxepin 9-ol (V) in a minor proportion, removal of a substantial proportion of the unreacted oxazole and dioxapin starting materials from the product mixture by distillation under reduced pressure, addition of a substantially anhydrous organic acid to said product mixture and rearrangement of the Diels-Alder adduct IV to further V in the presence of said substantially anhydrous organic acid with removal of the generated alkanol by distillation under reduced pressure, and acylation of the resultingly enriched quantity of V with an added carboxylic acid anhydride to produce the desired I, and optionally converting this so-manufactured acylation product I to pyridoxine by acid hydrolysis for achieving deprotection and deacylatiom. Pyridoxine is a well known form of vitamin B6 with well established utility.