22937-79-7

Basic information

• Product Name: 1,3-Benzenedicarboxylic acid, 5,5'-[1,10-decanediylbis(oxy)]bis-, tetramethyl ester
• CAS NO: 22937-79-7
• Molecular Formula: C30H38O10
• Molecular Weight: 558.626
• Mol File: 22937-79-7.mol

Chemical Properties

• CAS DataBase Reference: 1,3-Benzenedicarboxylic acid, 5,5'-[1,10-decanediylbis(oxy)]bis-, tetramethyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: 1,3-Benzenedicarboxylic acid, 5,5'-[1,10-decanediylbis(oxy)]bis-, tetramethyl ester(22937-79-7)
• EPA Substance Registry System: 1,3-Benzenedicarboxylic acid, 5,5'-[1,10-decanediylbis(oxy)]bis-, tetramethyl ester(22937-79-7)

Safety Data

• Hazardous Substances Data: 22937-79-7(Hazardous Substances Data)

Upstream product

• 13036-02-7 Dimethyl 5-hydroxyisophthalate 
• 4101-68-2 1,10-dibromodecane 
• 618-83-7 5-Hydroxyisophthalic acid 

Downstream Products

• 22937-74-2 C₂₆H₃₀O₁₀ 
• 503153-33-1 1,10-bis(3,5-bis(bromomethyl)phenoxy)decane 

Relevant articles and documents

Induced-fit in the gas phase: Conformational effects on the enantioselectivity of chiral tetra-amide macrocycles

The structure, stability, and reactivity of proton-bound diastereomeric [M?H?A]+ complexes between some amino acid derivatives (A) and several chiral tetra-amide macrocycles (M) have been investigated in the gas phase by ESI-FT-ICR and ESI-ITMS-CID mass spectrometry. The displacement of the A guest from the diastereomeric [M?H?A]+ complexes by reaction with the 2-aminobutane enantiomers (B) exhibits a distinct enantioselectivity with regards to the leaving amino acid A and, to a minor extent, to the amine reactant B. The emerging selectivity picture, discussed in the light of molecular mechanics calculations, provides compelling evidence that the most stable conformers of the selected chiral tetraamide macrocycles M may acquire in the gas phase a different conformation by induced fit on complexation with some representative amino acid derivatives A. This leads to the coexistence in the gas phase of stable diastereomeric [M?H?A] + eq-eq and ax-ax structures, in proportions depending on the configuration of A and M and characterized by different stability and reactivity toward the 2-aminobutane enantiomers. The enantioselectivity of the gas-phase A-to-B displacement in the diastereomeric [M?H?A]+ complexes essentially reflects the free energy gap between the homo- and heterochiral [M?H?A]+ complexes, except when the tetra-amidic host presents an additional macrocycle generated by a decamethylene chain. In this case, the measured enantioselectivity mostly reflects the stability difference between the relevant diastereomeric transition structures.

Nonplanar aromatic compounds. 8.1 synthesis, crystal structures, and aromaticity investigations of the 1,n-dioxa[n](2,7)pyrenophanes. How does bending affect the cyclic π-electron delocalization of the pyrene system?

A series of 1,n-dioxa[n](2,7)pyrenophanes (n = 7-12) with increasingly nonplanar pyrene moieties was synthesized by a 9-10 step sequence starting from 5-hydroxyisophthalic acid. The crystal structure of each member of this series was determined crystallographically. Several spectroscopic properties were found to vary with the extent of the nonplanarity of the pyrene unit. The way in which the distortion from planarity of the pyrene system influences its π-electron delocalization was investigated by using two quantitative descriptors of aromaticity based on geometry (HOMA) and magnetism (magnetic susceptibility and NICS). Both methods suggest that the aromaticity of the pyrene moiety is diminished only slightly upon increasing the bend angle θ from 0° to 109.2°.