tert-Butyl 3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)propionate - ≥98% , CAS No.134892-19-6

CAS: 134892-19-6 Cat. No.: T290862 Peso molecular: 256.15 Número EC: 876-730-6 PubChem CID: 15518004

GRADE & PURITY ≥98%

Synonyms

tert-Butyl 3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)propionate | 3-(tert-Butoxy)-3-oxopropylboronic Acid Pinacol Ester | 2-(T-BUTOXYCARBONYL)ETHYLBORONIC ACID, PINACOL ESTER | EN300-1178211 | AKOS015999623 | Z2044818479 | AT16285 | J-006621 | tert-

Storage

Room temperature

Specifications

Sinónimos

tert-Butyl 3-(4, 4, 5, 5-tetramethyl-[1, 3, 2]dioxaborolan-2-yl)propionate | 3-(tert-Butoxy)-3-oxopropylboronic Acid Pinacol Ester | 2-(T-BUTOXYCARBONYL)ETHYLBORONIC ACID, PINACOL ESTER | EN300-1178211 | AKOS015999623 | Z2044818479 | AT16285 | J-006621 | tert-

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: B1(OC(C(O1)(C)C)(C)C)CCC(=O)OC(C)(C)C
• IUPAC Name: tert-butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propanoate
• InChIKey: DAPLUUBGLVENFC-UHFFFAOYSA-N
• INCHI: 1S/C13H25BO4/c1-11(2,3)16-10(15)8-9-14-17-12(4,5)13(6,7)18-14/h8-9H2,1-7H3
• Isómeros SMILES: B1(OC(C(O1)(C)C)(C)C)CCC(=O)OC(C)(C)C
• PubChem CID: 15518004
• Peso molecular: 256.15

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Boronic acid derivatives
• Subclass: Boronic acid esters
• Intermediate Tree Nodes: Not available
• Direct Parent: Boronic acid esters
• Alternative Parents: Dioxaborolanes Carboxylic acid esters Oxacyclic compounds Organic metalloid salts Monocarboxylic acids and derivatives Organic oxides Monoalkylboranes Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Boronic acid ester - 1,3,2-dioxaborolane - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Oxacycle - Organic metalloid salt - Organoheterocyclic compound - Organic oxygen compound - Organooxygen compound - Organic metalloid moeity - Hydrocarbon derivative - Organic oxide - Alkylborane - Monoalkylborane - Carbonyl group - Aliphatic heteromonocyclic compound
• Descripción: 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

Propiedades químicas y físicas

• Peso molecular: 256.149 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 256.185 Da
• Monoisotopic Mass: 256.185 Da
• Topological Polar Surface Area: 44.800 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 301.000
• 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

XLogP3