Cas no 96433-09-9 (1,3,2-Dioxaborinane, 2,2'-(1,4-phenylene)bis-)

1,3,2-Dioxaborinane, 2,2'-(1,4-phenylene)bis- structure
96433-09-9 structure
Product Name:1,3,2-Dioxaborinane, 2,2'-(1,4-phenylene)bis-
CAS No:96433-09-9
MF:C12H16B2O4
MW:245.875043869019
CID:734676
PubChem ID:57359025
Update Time:2024-10-25

1,3,2-Dioxaborinane, 2,2'-(1,4-phenylene)bis- Chemical and Physical Properties

Names and Identifiers

    • 1,3,2-Dioxaborinane, 2,2'-(1,4-phenylene)bis-
    • 1,4-Di(1,3,2-dioxaborinan-2-yl)benzene
    • BENZEN-1,4-BIS(BORONIC ACID)-PROPANE-1,3-DIOL DIESTER
    • 2,2′-(1,4-Phenylene)bis[1,3,2-dioxaborinane] (ACI)
    • p-Benzenediboronic acid, cyclic dipropylene ester (7CI)
    • 2,2′-(1,4-Phenylene)bis(1,3,2-dioxaborinane)
    • 2-[4-(1,3,2-Dioxaborinan-2-yl)phenyl]-1,3,2-dioxaborinane
    • DTXSID80724358
    • 96433-09-9
    • 2,2'-(1,4-Phenylene)bis(1,3,2-dioxaborinane)
    • SCHEMBL3686725
    • BENZENE-1,4-BIS(TRIMETHYLENEBORATE)
    • E84093
    • DB-015898
    • BS-47869
    • Inchi: 1S/C12H16B2O4/c1-7-15-13(16-8-1)11-3-5-12(6-4-11)14-17-9-2-10-18-14/h3-6H,1-2,7-10H2
    • InChI Key: QQFCUSUMPGLERA-UHFFFAOYSA-N
    • SMILES: O1CCCOB1C1C=CC(B2OCCCO2)=CC=1

Computed Properties

  • Exact Mass: 246.1234693g/mol
  • Monoisotopic Mass: 246.1234693g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 2
  • Complexity: 221
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 36.9?2

Experimental Properties

  • PSA: 36.92000
  • LogP: -0.04920

1,3,2-Dioxaborinane, 2,2'-(1,4-phenylene)bis- Pricemore >>

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1,3,2-Dioxaborinane, 2,2'-(1,4-phenylene)bis- Production Method

Production Method 1

Reaction Conditions
1.1 Solvents: Dichloromethane ;  rt
Reference
Toward Truly Water-Soluble Rodlike Polyelectrolytes: Synthesis of Poly(para-phenylenes) Wrapped in Ethylene Oxide and Amino Side Groups
Wittmeyer, Patrick; Traser, Steffen; Sander, Regina; Sondergeld, Katrin B.; Ungefug, Alexander; et al, Macromolecular Chemistry and Physics, 2016, 217(13), 1473-1487

Production Method 2

Reaction Conditions
1.1 Solvents: Toluene ;  overnight, rt → reflux
Reference
Palladium-Catalyzed Cross-Coupling Reactions in the Synthesis of Novel Aromatic Polymers
Lightowler, Stephen; Hird, Michael, Chemistry of Materials, 2004, 16(20), 3963-3971

Production Method 3

Reaction Conditions
1.1 Solvents: Dichloromethane ;  24 h, reflux
Reference
Interchain Helically π-Stacked Assembly of Cationic Chiral Poly(para-phenylene) Derivatives Enforced by Anionic π-Conjugated Molecules through Both Electrostatic and π-π Interactions
Watanabe, Kazuyoshi; Sun, Zemeng; Akagi, Kazuo, Chemistry of Materials, 2015, 27(8), 2895-2902

Production Method 4

Reaction Conditions
1.1 Solvents: Dichloromethane ;  24 h, reflux
Reference
Circularly Polarized Blue Luminescent Spherulites Consisting of Hierarchically Assembled Ionic Conjugated Polymers with a Helically π-Stacked Structure
Watanabe, Kazuyoshi; Iida, Hiroshi; Akagi, Kazuo, Advanced Materials (Weinheim, 2012, 24(48), 6451-6456

Production Method 5

Reaction Conditions
1.1 Solvents: Dichloromethane ;  24 h, rt
Reference
Helically π-Stacked Thiophene-Based Copolymers with Circularly Polarized Fluorescence: High Dissymmetry Factors Enhanced by Self-Ordering in Chiral Nematic Liquid Crystal Phase
Watanabe, Kazuyoshi; Osaka, Itaru; Yorozuya, Shinichi; Akagi, Kazuo, Chemistry of Materials, 2012, 24(6), 1011-1024

Production Method 6

Reaction Conditions
1.1 Solvents: Toluene ;  16 h, reflux
Reference
Strategies and investigations on bridging squaraine dye units
Kuster, Simon; Geiger, Thomas, Dyes and Pigments, 2012, 95(3), 657-670

Production Method 7

Reaction Conditions
1.1 Reagents: Naphthalene ,  Lithium ,  Magnesium Solvents: Tetrahydrofuran ;  40 °C; 12 h; 3 h
1.2 Solvents: Tetrahydrofuran ;  < -65 °C; 1 h, < -65 °C
1.3 Reagents: Tripropyl borate ;  < -65 °C; rt
1.4 Reagents: Hydrochloric acid Solvents: Water ;  acidified
1.5 Solvents: Toluene
Reference
Synthesis and properties of terphenyl- and quaterphenyl-based chiral diesters
Kula, Przemyslaw; Herman, Jakub; Chojnowska, Olga, Liquid Crystals, 2013, 40(1), 83-90

Production Method 8

Reaction Conditions
1.1 Reagents: Magnesium Catalysts: Iodine Solvents: Tetrahydrofuran ;  8 h, reflux; overnight, rt
1.2 Solvents: Tetrahydrofuran ;  3 h, -78 - -70 °C; 2 h, -78 - -70 °C; overnight, -70 °C → rt
1.3 Reagents: Sulfuric acid Solvents: Diethyl ether ,  Water ;  cooled
Reference
Retarder and liquid crystal display comprising the same
, World Intellectual Property Organization, , ,

1,3,2-Dioxaborinane, 2,2'-(1,4-phenylene)bis- Raw materials

1,3,2-Dioxaborinane, 2,2'-(1,4-phenylene)bis- Preparation Products

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