2-(2,3-Dihydro-1H-inden-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane - ≥95% , CAS No.1252793-57-9

CAS: 1252793-57-9 Cat. No.: D586786 Molecular Weight: 244.14 EC Number: 827-861-2

GRADE & PURITY ≥95%

Synonyms

(2,3-Dihydro-1H-inden-4-yl)boronic acid pinacol ester | 2-(2,3-dihydro-1H-inden-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane | MFCD18383480 | AS-76632 | SCHEMBL12667047 | SY209162 | Z2049763600 | CAC79357 | 4-Indaneboronic Acid Pinacol Ester | Y10148 | E

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Specifications

Synonyms

(2, 3-Dihydro-1H-inden-4-yl)boronic acid pinacol ester | 2-(2, 3-dihydro-1H-inden-4-yl)-4, 4, 5, 5-tetramethyl-1, 3, 2-dioxaborolane | MFCD18383480 | AS-76632 | SCHEMBL12667047 | SY209162 | Z2049763600 | CAC79357 | 4-Indaneboronic Acid Pinacol Ester | Y10148 | E

Specifications & Purity

≥95%

Storage

Store at 2-8°C, Desiccated

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥95%

Names and Identifiers

• Canonical Smiles: B1(OC(C(O1)(C)C)(C)C)C2=C3CCCC3=CC=C2
• IUPAC Name: 2-(2,3-dihydro-1H-inden-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• InChIKey: DYTLGZWBDATBAZ-UHFFFAOYSA-N
• INCHI: 1S/C15H21BO2/c1-14(2)15(3,4)18-16(17-14)13-10-6-8-11-7-5-9-12(11)13/h6,8,10H,5,7,9H2,1-4H3
• Isomeric SMILES: B1(OC(C(O1)(C)C)(C)C)C2=C3CCCC3=CC=C2
• Molecular Weight: 244.14
• Reaxy-Rn: 20707397
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=20707397&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Indanes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Indanes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Indanes
• Alternative Parents: Dioxaborolanes Boronic acid esters Oxacyclic compounds Organic metalloid salts Organooxygen compounds Organoboron compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Indane - 1,3,2-dioxaborolane - Boronic acid ester - Boronic acid derivative - Oxacycle - Organic metalloid salt - Organoheterocyclic compound - Organic oxygen compound - Hydrocarbon derivative - Organic salt - Organooxygen compound - Organoboron compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as indanes. These are compounds containing an indane moiety, which consists of a cyclopentane fused to a benzene ring.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Molecular Weight: 244.140 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 244.163 Da
• Monoisotopic Mass: 244.163 Da
• Topological Polar Surface Area: 18.500 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 310.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

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