31858-66-9

Basic information

• Product Name: Methyl Mycophenolate (EP Impurity E)
• Synonyms: (4E)-6-(1,3-Dihydro-4-hydroxy-6-methoxy-7-methyl-3-oxo-5-isobenzofuranyl)-4-methyl-4-hexenoic Acid Methyl Ester;EP Impurity E;Methyl Mycophenolate (EP Impurity E);Mycophenolic Acid Methyl Ester;Mycophenolate Mofetil EP IMpurity E;Mycophenolate Mofetil Impurity E;mycophenolic EP Impurity E;(E)-methyl-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydroisobenzofuran-5-yl)-4-methylhex-4-enoate
• CAS NO: 31858-66-9
• Molecular Formula: C₁₈H₂₂O₆
• Molecular Weight: 334.36
• Product Categories: Chemical Impurities;Impurities;Intermediates & Fine Chemicals;Pharmaceuticals
• Mol File: 31858-66-9.mol
• Article Data: 21

Chemical Properties

• Melting Point: 105-106°C
• Boiling Point: 540.4°C at 760 mmHg
• Flash Point: 194.1°C
• Appearance: /
• Density: 1.222g/cm³
• Vapor Pressure: 2.72E-12mmHg at 25°C
• Refractive Index: 1.556
• Storage Temp.: -20°C Freezer
• PKA: 9.87±0.20(Predicted)
• CAS DataBase Reference: Methyl Mycophenolate (EP Impurity E)(CAS DataBase Reference)
• NIST Chemistry Reference: Methyl Mycophenolate (EP Impurity E)(31858-66-9)
• EPA Substance Registry System: Methyl Mycophenolate (EP Impurity E)(31858-66-9)

Safety Data

• Hazardous Substances Data: 31858-66-9(Hazardous Substances Data)

Usage

Chemical Properties

White Solid

Uses

Degradation product of Mycophenolate mofetil. EP Impurity E

InChI:InChI=1/C18H22O6/c1-10(6-8-14(19)22-3)5-7-12-16(20)15-13(9-24-18(15)21)11(2)17(12)23-4/h5,20H,6-9H2,1-4H3/b10-5+

Upstream product

• 67-56-1 methanol 
• 24280-93-1 mycophenolic acid 
• 24282-61-9 7-hydroxy-5-methoxy-4-methylisobenzofuran-1(3H)-one 
• 207398-35-4 3-((E)-3,7-Dimethyl-octa-2,6-dienyl)-6-(2,2-dimethyl-propionyloxymethyl)-5-formyl-2,4-dihydroxy-benzoic acid methyl ester 
• 545392-50-5 6-[5-(3,3-dimethyl-oxiranyl)-3-methyl-pent-2-enyl]-5,7-dimethoxy-4-methyl-3H-isobenzofuran-1-one 
• 207402-10-6 3-((E)-3,7-Dimethyl-octa-2,6-dienyl)-6-(2,2-dimethyl-propionyloxymethyl)-5-hydroxymethyl-2,4-dimethoxy-benzoic acid methyl ester 
• 207402-09-3 3-((E)-3,7-Dimethyl-octa-2,6-dienyl)-6-(2,2-dimethyl-propionyloxymethyl)-5-formyl-2,4-dimethoxy-benzoic acid methyl ester 
• 207398-36-5 3-((E)-3,7-Dimethyl-octa-2,6-dienyl)-6-(2,2-dimethyl-propionyloxymethyl)-2,4-dimethoxy-5-methyl-benzoic acid methyl ester 
• 207398-37-6 6-((E)-3,7-Dimethyl-octa-2,6-dienyl)-5,7-dimethoxy-4-methyl-3H-isobenzofuran-1-one 
• 545392-47-0 (E)-6-(4,6-Dimethoxy-7-methyl-3-oxo-1,3-dihydro-isobenzofuran-5-yl)-4-methyl-hex-4-enal 
• 38877-93-9 7-O-Methylmycophenolic acid 
• 60435-90-7 5,7-dimethoxy-6-(5-methoxycarbonyl-3-methyl-2-pentenyl)-4-methylphthalide 
• 188291-78-3 (E)-6-[6-Methoxy-7-methyl-3-oxo-4-(2-trimethylsilanyl-ethoxymethoxy)-1,3-dihydro-isobenzofuran-5-yl]-4-methyl-hex-4-enoic acid methyl ester 
• 188291-73-8 7-hydroxy-6-iodo-5-methoxy-4-methylisobenzofuran-1(3H)-one 

Downstream Products

• 115007-34-6 mycophenolate mofetil 
• 116680-01-4 2-morpholinoethyl (E)-6-(1,3-dihydro-4-hydroxy-6-methoxy-7-methyl-3-oxo-5-isobenzofuranyl)-4-methyl-4-hexenoate hydrochloride 
• 1186295-42-0 methyl mycophenolate 7-O-(2,3,4,6-tetra-O-acetyl)-β-D-glucopyranose 
• 171808-05-2 methyl (E) 6-(1,3-dihydro-7-methyl-3-oxo-4-p-toluenesulfonyloxy-6-trifluoromethanesulfonyloxy-isobenzofuran-5-yl)-4-methyl-4-hexenoate 
• 182009-87-6 (E)-6-[4-Methanesulfonyloxymethyl-2-methoxy-6-(2-methoxy-ethoxymethoxy)-3-methyl-5-(pyrrolidine-1-carbonyl)-phenyl]-4-methyl-hex-4-enoic acid tert-butyl ester 
• 182009-88-7 (E)-6-[4-Azidomethyl-2-methoxy-6-(2-methoxy-ethoxymethoxy)-3-methyl-5-(pyrrolidine-1-carbonyl)-phenyl]-4-methyl-hex-4-enoic acid tert-butyl ester 
• 182009-79-6 (E)-6-[4-Acetylsulfanylmethyl-2-methoxy-6-(2-methoxy-ethoxymethoxy)-3-methyl-5-(pyrrolidine-1-carbonyl)-phenyl]-4-methyl-hex-4-enoic acid tert-butyl ester 
• 182010-05-5 (E)-4-Methyl-6-[7-methyl-3-oxo-6-phenyl-4-(toluene-4-sulfonyloxy)-1,3-dihydro-isobenzofuran-5-yl]-hex-4-enoic acid methyl ester 
• 171489-89-7 methyl (E) 6-(6-cyclopropyl-1,3-dihydro-7-methyl-3-oxo-4-p-toluenesulfonyloxyisobenzofuran-5-yl)-4-methyl-4-hexenoate 
• 1026594-33-1 (E)-6-[4-Hydroxymethyl-2-methoxy-6-(2-methoxy-ethoxymethoxy)-3-methyl-5-(pyrrolidine-1-carbonyl)-phenyl]-4-methyl-hex-4-enoic acid tert-butyl ester 
• 171489-88-6 methyl (E) 6-(1,3-dihydro-6-ethyl-7-methyl-3-oxo-4-p-toluenesulfonyloxyisobenzofuran-5-yl)-4-methyl-4-hexenoate 
• 171489-85-3 methyl (E) 6-(1,3-dihydro-7-methyl-3-oxo-4-p-toluenesulfonyloxy-6-vinylisobenzofuran-5-yl)-4-methyl-4-hexenoate 
• 171808-03-0 (E) 6-(1,3-dihydro-6-hydroxy-7-methyl-3-oxo-4-p-toluenesulfonyloxyisobenzofuran-5-yl)-4-methyl-4-hexenoic acid 
• 171808-04-1 methyl (E) 6-(1,3-dihydro-6-hydroxy-7-methyl-3-oxo-4-p-toluenesulfonyloxyisobenzofuran-5-yl)-4-methyl-4-hexenoate 

Relevant articles and documents

Synthesis of mycophenolate Mofetil-[14C], RS-61443-14C

Synthesis of the potent immunosuppressive agent, mycophenolate mofetil (1) labelled with carbon-14 is described. Methoxyethoxymethyl (MEM) protected mycophenolate norbromide (9) was prepared from unlabelled mycophenolic acid (2) using a modified Hunsdiecker reaction. A three step synthesis furnished the title compound, having a specific activity of 53.8 mCi/mmol, in 49.5% overall yield from K14CN.

Phosphamide derivative as well as preparation method and application thereof

The invention relates to a compound of a general formula (I), a stereoisomer or pharmaceutically acceptable salt of the compound and application of the compound in preparation of medicines for preventing or treating diabetes, resisting tumors, preventing or treating attention deficit hyperactivity disorder and motor neuron diseases, protecting brain and preventing or treating central nervous system related diseases, immunosuppression, organ tissue or cell allogeneic suppression rejection reaction, immune regulation and/or inflammatory diseases, convulsions, epilepsy or cerebral apoplexy. The structure of the compound of the general formula (I) is Q-L-R, and the groups of the compound are defined in the specification.

Diels-Alder and Stille Coupling Approach for the Short Protecting-Group-Free Synthesis of Mycophenolic Acid, Its Phenylsulfenyl and Phenylselenyl Analogues, and Reactive Oxygen Species (ROS) Probing Capacity in Water

A short, protecting-group-free synthesis is achieved. The synthesis is step-efficient and general. A Diels-Alder and Stille cross-coupling approach includes key transformations, allowing for a competitive synthesis which involves a rare halophenol Stille cross-coupling study. The phenylselenyl and phenylsulfenyl analogues were prepared as novel compounds in good overall yield. The applicability of one of the intermediates as a potential probe for reactive oxygen species (ROS) in water is investigated.