947409-01-0

Basic information

• Product Name: Benzenepropanoic acid, 5-[4-(cyclopentyloxy)-2-hydroxybenzoyl]-2-[[2,3-dihydro-3-oxo-2-(triphenylMethyl)-1,2-benzisoxazol-6-yl]Methoxy]-, Methyl ester
• Synonyms: Benzenepropanoic acid, 5-[4-(cyclopentyloxy)-2-hydroxybenzoyl]-2-[[2,3-dihydro-3-oxo-2-(triphenylMethyl)-1,2-benzisoxazol-6-yl]Methoxy]-, Methyl ester
• CAS NO: 947409-01-0
• Molecular Formula: C₄₉H₄₃NO₈
• Molecular Weight: 773.87
• EINECS: -0
• Mol File: 947409-01-0.mol
• Article Data: 4

Chemical Properties

• Appearance: /
• CAS DataBase Reference: Benzenepropanoic acid, 5-[4-(cyclopentyloxy)-2-hydroxybenzoyl]-2-[[2,3-dihydro-3-oxo-2-(triphenylMethyl)-1,2-benzisoxazol-6-yl]Methoxy]-, Methyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: Benzenepropanoic acid, 5-[4-(cyclopentyloxy)-2-hydroxybenzoyl]-2-[[2,3-dihydro-3-oxo-2-(triphenylMethyl)-1,2-benzisoxazol-6-yl]Methoxy]-, Methyl ester(947409-01-0)
• EPA Substance Registry System: Benzenepropanoic acid, 5-[4-(cyclopentyloxy)-2-hydroxybenzoyl]-2-[[2,3-dihydro-3-oxo-2-(triphenylMethyl)-1,2-benzisoxazol-6-yl]Methoxy]-, Methyl ester(947409-01-0)

Safety Data

• Hazardous Substances Data: 947409-01-0(Hazardous Substances Data)

Upstream product

• 530141-60-7 methyl 3-[2-hydroxy-5-(2-hydroxy-4-cyclopentyloxybenzoyl)phenyl]propionate 
• 947408-95-9 2-trityl-6-bromomethylbenzisoxazol-3-one 
• 151-10-0 1,3-Dimethoxybenzene 
• 947408-90-4 6-(2,4-dimethoxybenzoyl)chromen-2-one 
• 947408-91-5 6-(2,4-dihydroxybenzoyl)chromen-2-one 
• 7734-80-7 2-oxo-2H-benzopyran-6-carboxylic acid 
• 530141-56-1 6-(2,4-dihydroxybenzoyl)-2-chromanone 
• 530141-58-3 6-[4-(cyclopentyloxy)-2-hydroxybenzoyl]-2-chromanone 
• 6342-77-4 2-methoxy-benzenepropanoic acid 
• 50-85-1 2-hydroxy-p-toluic acid 
• 4670-56-8 methyl 2-hydroxy-4-methylbenzoate 
• 158671-29-5 N,2-dihydroxy-4-methylbenzamide 
• 947408-94-8 6-methyl-2-triphenylmethyl-1,2-benzisoxazol-3(2H)-one 
• 55001-09-7 methyl 3-(2-methoxyphenyl)propanoate 

Relevant articles and documents

Synthesis technology of C-Fos/AP-1 inhibitor

The invention belongs to the technical field of pharmaceutical synthesis and especially relates to a synthesis technology of a C-Fos/AP-1 inhibitor. Starting from cheap raw materials 2,4-dimethoxybenzoic acid and 2-methoxyphenylpropionic acid, acid chloride is prepared by using thionyl chloride, and a Friedel-Crafts acylation reaction is carried out under the catalysis of aluminium trichloride soas to obtain a coupled product; then, pyridine hydrobromide and sodium chloride are used to react at 160 DEG C for 30 minutes to complete the demethylation for synthesis of lactonic ring by one step,and the product can be directly used in the next reaction without purification; the cyclopentyl group is introduced by nucleophilic substitution; the lactone ring is opened to form methyl ester; afterpurification, a benzoisoxazolyl group is introduced by nucleophilic substitution, and a protecting group is taken off to prepare the final product T5224. The route of the invention is short, and onlythe Friedel-Crafts acylation, lactone ring opening and introduction of the benzoisoxazolyl group require the step of purification. The cost of the raw materials is low, and the reaction time of the process route is short. The synthesis technology is suitable for industrial production.

NOVEL CRYSTAL OF 3-Y5-Y4-(CYCLOPENTYLOXY)-2- HYDROXYBENZOYL¨-2-Y(3-HYDROXY-1,2-BENZISOXAZOL-6- YL)METHOXY¨PHENYL¨PROPIONIC ACID

The crystal of 3-{5-[4-(cyclopentyloxy)-2-hydroxybenzoyl]-2-[(3-hydroxy-1,2-benzisoxazol-6-yl)methoxy]phenyl}propionic acid having peaks at the position of 14.0, 16.0, 23.3, 23.7 and 26.3°and the crystal of 3-{5-[4-(cyclopentyloxy)-2-hydroxybenzoyl]-2-[(3