trans-4-(tert-Butyldimethylsiloxy)-1-buten-1-ylboronic acid pinacol ester - ≥95% , CAS No.480425-30-7

CAS: 480425-30-7 Cat. No.: I170533 Molecular Weight: 312.33 EC Number: 867-499-2

GRADE & PURITY ≥95%

Synonyms

C16H33BO3Si | TRANS-4-(T-BUTYLDIMETHYLSILYLOXY)-1-BUTEN-1-YLBORONIC ACID, PINACOL ESTER | ZB0295 | (E)-4-(tert-butyldimethylsiloxy)-1-buten-1ylboronic acid pinacol ester | 1426333-10-9 | AKOS016001174 | A871981 | AS-55595 | tert-butyl-dimethyl-[(E)-4-(4,4

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

C16H33BO3Si | TRANS-4-(T-BUTYLDIMETHYLSILYLOXY)-1-BUTEN-1-YLBORONIC ACID, PINACOL ESTER | ZB0295 | (E)-4-(tert-butyldimethylsiloxy)-1-buten-1ylboronic acid pinacol ester | 1426333-10-9 | AKOS016001174 | A871981 | AS-55595 | tert-butyl-dimethyl-[(E)-4-(4, 4

Specifications & Purity

≥95%

Storage

Room temperature

Shipped In

Normal

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 488199227
• Canonical Smiles: B1(OC(C(O1)(C)C)(C)C)C=CCCO[Si](C)(C)C(C)(C)C
• IUPAC Name: tert-butyl-dimethyl-[(E)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-enoxy]silane
• InChIKey: ODTSJDLTXNDTBB-ZRDIBKRKSA-N
• INCHI: 1S/C16H33BO3Si/c1-14(2,3)21(8,9)18-13-11-10-12-17-19-15(4,5)16(6,7)20-17/h10,12H,11,13H2,1-9H3/b12-10+
• Isomeric SMILES: B1(OC(C(O1)(C)C)(C)C)/C=C/CCO[Si](C)(C)C(C)(C)C
• Molecular Weight: 312.33
• Reaxy-Rn: 20539936
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=20539936&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Boronic acid derivatives
      • Subclass Boronic acid esters

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Boronic acid derivatives
• Subclass: Boronic acid esters
• Intermediate Tree Nodes: Not available
• Direct Parent: Boronic acid esters
• Alternative Parents: Trialkylheterosilanes Dioxaborolanes Silyl ethers Oxacyclic compounds Organic metalloid salts Organooxygen compounds Organoboron compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Trialkylheterosilane - 1,3,2-dioxaborolane - Boronic acid ester - Silyl ether - Organoheterosilane - Oxacycle - Organic metalloid salt - Organoheterocyclic compound - Organic oxygen compound - Hydrocarbon derivative - Organic salt - Organosilicon compound - Organooxygen compound - Organoboron compound - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as boronic acid esters. These are compounds comprising the boronic acid ester functional group RN(X)OR' (R,R'=alkyl, aryl; X= any O, N, Hal residue).
• 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

• Refractive Index: 1.447
• Boil Point(°C): 297-298 °C
• Molecular Weight: 312.300 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 312.229 Da
• Monoisotopic Mass: 312.229 Da
• Topological Polar Surface Area: 27.700 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 367.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1

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