33431-38-8

Basic information

• Product Name: 6-(4,6-DIHYDROXY-7-METHYL-3-OXO-1,3-DIHYDRO-ISOBENZOFURAN-5-YL)-4-METHYL-HEX-4-ENOIC ACID METHYL ESTER
• Synonyms: 6-(4,6-DIHYDROXY-7-METHYL-3-OXO-1,3-DIHYDRO-ISOBENZOFURAN-5-YL)-4-METHYL-HEX-4-ENOIC ACID METHYL ESTER;O-DesMethyl Mycophenolic Acid Methyl Ester;(4E)-6-(1,3-Dihydro-4,6-dihydroxy-7-Methyl-3-oxo-5-isobenzofuranyl)-4-Methyl-4-hexenoic Acid Methyl Ester;DeMethylMycophenolic Acid Methyl Ester;Nor-O-Methyl Mycophenolic Acid Methyl Ester
• CAS NO: 33431-38-8
• Molecular Formula: C17H20O6
• Molecular Weight: 320.34
• Product Categories: Intermediates & Fine Chemicals;Metabolites & Impurities;Pharmaceuticals;Metabolites & Impurities, Pharmaceuticals, Intermediates & Fine Chemicals
• Mol File: 33431-38-8.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 544.1±50.0 °C(Predicted)
• Appearance: /
• Density: 1.291±0.06 g/cm3(Predicted)
• PKA: 8.26±0.20(Predicted)
• CAS DataBase Reference: 6-(4,6-DIHYDROXY-7-METHYL-3-OXO-1,3-DIHYDRO-ISOBENZOFURAN-5-YL)-4-METHYL-HEX-4-ENOIC ACID METHYL ESTER(CAS DataBase Reference)
• NIST Chemistry Reference: 6-(4,6-DIHYDROXY-7-METHYL-3-OXO-1,3-DIHYDRO-ISOBENZOFURAN-5-YL)-4-METHYL-HEX-4-ENOIC ACID METHYL ESTER(33431-38-8)
• EPA Substance Registry System: 6-(4,6-DIHYDROXY-7-METHYL-3-OXO-1,3-DIHYDRO-ISOBENZOFURAN-5-YL)-4-METHYL-HEX-4-ENOIC ACID METHYL ESTER(33431-38-8)

Safety Data

• Hazardous Substances Data: 33431-38-8(Hazardous Substances Data)

Usage

Uses

Protected metabolite of Mycophenolic Acid.

Upstream product

• 24280-93-1 mycophenolic acid 
• 67-56-1 methanol 
• 31858-65-8 nor-O-methylmycophenolic acid 
• 24280-93-1 mycophenolic acid 

Relevant articles and documents

Synthesis method of mycophenolic acid-13CD3

The invention provides a synthesis method of mycophenolic acid-13CD3, which comprises the following steps: (1) carrying out a demethylation reaction on a compound 1, lithium iodide, pyridine and 2, 4,6-trimethylpyridine under the protection of N2 to obtain a compound 2; (2) carrying out an esterification reaction on the compound 2 and thionyl chloride in a methanol system to obtain a compound 3;(3) carrying out a light delay reaction on the compound 3, triphenylphosphine, diethyl azodicarboxylate and methanol-13CD3 in anhydrous tetrahydrofuran to obtain a compound 4; and (4) carrying out anester hydrolysis reaction on the compound 4 and lithium hydroxide monohydrate in a methanol/water system to obtain mycophenolic acid-13CD3. According to the synthesis method of mycophenolic acid-13CD3disclosed by the invention, a target molecule is successfully synthesized by using a relatively short synthesis route, and the cost is controllable.