109554-51-0

Basic information

• Product Name: 3-phenyl-1,2,2-propanetricarboxylic acid 1,2,2-triethyl ester
• Synonyms: 3-phenyl-1,2,2-propanetricarboxylic acid 1,2,2-triethyl ester
• CAS NO: 109554-51-0
• Molecular Weight: 336.385
• Mol File: 109554-51-0.mol
• Article Data: 4

Chemical Properties

• CAS DataBase Reference: 3-phenyl-1,2,2-propanetricarboxylic acid 1,2,2-triethyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: 3-phenyl-1,2,2-propanetricarboxylic acid 1,2,2-triethyl ester(109554-51-0)
• EPA Substance Registry System: 3-phenyl-1,2,2-propanetricarboxylic acid 1,2,2-triethyl ester(109554-51-0)

Safety Data

• Hazardous Substances Data: 109554-51-0(Hazardous Substances Data)

Upstream product

• 105-36-2 ethyl bromoacetate 
• 607-81-8 diethyl 2-benzylmalonate 
• 7459-46-3 triethyl 1,1,2-ethanetricarboxylate 
• 100-44-7 benzyl chloride 
• 996-82-7 sodium diethylmalonate 
• 28744-77-6 sodium diethyl-2-phenylmalonate 
• 105-39-5 chloroacetic acid ethyl ester 

Downstream Products

• 3033-50-9 3-phenyl-1,1,2-propanetricarboxylic acid 1,1,2-triethyl ester 
• 6566-40-1 4-oxo-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid 
• 856061-15-9 (4-benzyl-3,5-dioxo-pyrazolidin-4-yl)-acetyl azide 
• 36092-42-9 2-benzylsuccinic acid 
• 19544-43-5 3-benzyldihydrofuran-2,5-dione 

Relevant articles and documents

Synthesis of optically active α-benzyl paraconic acids and their esters and assignment of their absolute configuration

The cis- and trans-4-benzylparaconic acids and their ethyl esters were synthesized with high enantiomeric excess by hydrolysis of the corresponding diastereomeric lactonic esters using α-chymotrypsin. Thus, at low conversion values, cis- and trans-4-benzyl-5-oxo-3-tetrahydrofurancarboxylic acids were separately isolated with 99% ee and 92% ee, respectively. Both ethyl ester diastereomers were also obtained in enantiopure form. The absolute configuration of the trans-lactonic acid was assigned by 1H NMR analysis of its ester derivatives with both enantiomers of 1-(9-anthryl)-2,2,2-trifluoroethanol, while that of the cis-lactonic acid was assigned by means of X-ray analysis of a crystalline derivative. The circular dichroism curves of the products obtained are also reported.

Novel compounds

Compounds of formula I, or a salt thereof or a hydrate thereof, as follows: wherein X and Y are selected independently from hydrogen and aryl, which aryl is unsubstituted or substituted one or more times by hydroxy, hydroxyC1-6alkyl, C1-6alkoxyC1-6alkyl, aryl, heterocyclyl, amino, C1-6alkylamino, di(C1-6alkyl)amino, arylC1-6alkoxy, C1-6alkyl, C1-6alkoxy or halo, which alkyl or alkoxy groups are unsubstituted or substituted one or more times by halo; m and n are independently 0 to 3, provided that m and n are not both 0; A represents a single bond or is —(CRpa Rpb)p— wherein p is 1-3 and Rpa and Rpb are selected independently from hydrogen, C1-6alkyl, C1-6alkoxy and halo, which alkyl or alkoxy groups are independently substituted one or more times by halo; B represents a C4-8 saturated or unsaturated ring, which ring is unsubstituted or substituted one or more times by C1-6alkyl, C1-6alkoxy, aryl, aryloxy, hydroxy, oxo, halo, amino, C1-6alkylamino, di(C1-6 alkyl)amino, and C1-6alkylamido, which C1-6alkyl or C1-6alkoxy groups are unsubstituted or substituted one or more times by halo, which aryl group is unsubstituted or substituted one or more times by aryl, heterocyclyl, aryloxy, arylC1-6alkoxy, amino, C1-6alkylamino, di(C1-6alkyl)amino, arylC1-6alkyl, hydroxy, C1-6alkenoxy, C1-6alkoxy, halo, or C1-6alkyl, which C1-6alkyl may be substituted one or more times by halo, and which aryl group is linked to said ring by a single bond or is benzo-condensed therewith are ligands of the ORL-1 receptor.