209673-75-6

Basic information

• Product Name: 4-(3,7-Dimethyloctyloxy)benzeneboronic acid
• Synonyms: 4-(3,7-Dimethyloctyloxy)benzeneboronic acid
• CAS NO: 209673-75-6
• Molecular Formula: C₁₆H₂₇BO₃
• Molecular Weight: 278.197
• Mol File: 209673-75-6.mol

Chemical Properties

• Boiling Point: 411.158 °C at 760 mmHg
• Flash Point: 202.461 °C
• Appearance: /
• Density: 1.001 g/cm³
• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.497
• PKA: 8.71±0.16(Predicted)
• CAS DataBase Reference: 4-(3,7-Dimethyloctyloxy)benzeneboronic acid(CAS DataBase Reference)
• NIST Chemistry Reference: 4-(3,7-Dimethyloctyloxy)benzeneboronic acid(209673-75-6)
• EPA Substance Registry System: 4-(3,7-Dimethyloctyloxy)benzeneboronic acid(209673-75-6)

Safety Data

• Hazardous Substances Data: 209673-75-6(Hazardous Substances Data)

Usage

InChI:InChI=1/C16H27BO3/c1-13(2)5-4-6-14(3)11-12-20-16-9-7-15(8-10-16)17(18)19/h7-10,13-14,18-19H,4-6,11-12H2,1-3H3

Upstream product

• 209673-74-5 1-bromo-4-((3,7-dimethyloctyl)oxy)benzene 
• 106-21-8 tetrahydrogeraniol 
• 59965-20-7 1-bromo-3,7-dimethyloctane 
• 121-43-7 Trimethyl borate 

Relevant articles and documents

New pyridine based liquid crystalline esters with different terminal chains

The synthesis, structural and mesomorphic characterization of new pyridine-based methyl esters carrying a n-alkoxy chain or 3,7-Dimethyloctyloxy branched group at terminal have been presented. The liquid crystalline properties of the new pyridine-based calamitic molecules have been investigated by polarized optical microscopy and differential scanning calorimetry. New compounds exhibit enantiotropic smectic A mesophase at a variable mesomorphic range depending on alkoxy chain length and branching at terminal. The presence of a branched terminal group in chiral or racemic form gives rise to a sharply increase in mesomorphic range as well as decrease in crystallization points by preserving mesophase type.

Influence of conjugation axis on the optical and electronic properties of aryl-substituted benzobisoxazoles

Six different 2,6-diethyl-4,8-diarylbenzo[1,2-d:4,5-d′]bis(oxazoles) and four different 2,4,6,8-tetraarylbenzobisoxazoles were synthesized in two steps: a Lewis acid catalyzed orthoester cyclization followed by a Suzuki or Stille cross-coupling with various arenes. The influence of aryl group substitution and/or conjugation axis variation on the optical and electronic properties of these benzobis(oxazole) (BBO) compounds was evaluated. Structural modifications could be used to alter the HOMO, LUMO, and band gap over a range of 1.0, 0.5, and 0.5 eV, respectively. However, depending on the location and identity of the substituent, the HOMO level can be altered without significantly impacting the LUMO level. This is supported by the calculated frontier molecular orbitals. Our results indicate that the FMOs and band gaps of benzobisoxazoles can be readily modified either jointly or individually.