2-(1,3-Dioxolan-2-yl)ethylboronic acid pinacol ester - ≥97% , CAS No.1073354-07-0

CAS: 1073354-07-0 Cat. No.: D358363 Molecular Weight: 228.09

GRADE & PURITY ≥97%

Synonyms

SY256191 | [2-(1,3-Dioxolan-2-yl)ethyl]boronic Acid Pinacol Ester | 2-[2-(1,3-dioxolan-2-yl)ethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane | AT15989 | AKOS015999477 | BS-22724 | DTXSID10674650 | 1073354-07-0 | MFCD03788722 | 2-(2-(1,3-Dioxolan-2-yl)ethyl)

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

SY256191 | [2-(1, 3-Dioxolan-2-yl)ethyl]boronic Acid Pinacol Ester | 2-[2-(1, 3-dioxolan-2-yl)ethyl]-4, 4, 5, 5-tetramethyl-1, 3, 2-dioxaborolane | AT15989 | AKOS015999477 | BS-22724 | DTXSID10674650 | 1073354-07-0 | MFCD03788722 | 2-(2-(1, 3-Dioxolan-2-yl)ethyl)

Specifications & Purity

≥97%

Storage

Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

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

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 504770754
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504770754
• Canonical Smiles: B1(OC(C(O1)(C)C)(C)C)CCC2OCCO2
• IUPAC Name: 2-[2-(1,3-dioxolan-2-yl)ethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• InChIKey: DNBRLKJRBDIKOO-UHFFFAOYSA-N
• INCHI: 1S/C11H21BO4/c1-10(2)11(3,4)16-12(15-10)6-5-9-13-7-8-14-9/h9H,5-8H2,1-4H3
• Isomeric SMILES: B1(OC(C(O1)(C)C)(C)C)CCC2OCCO2
• Molecular Weight: 228.09
• Reaxy-Rn: 22151546
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=22151546&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: Dioxaborolanes 1,3-dioxolanes Oxacyclic compounds Organic metalloid salts Acetals Monoalkylboranes Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: 1,3,2-dioxaborolane - Boronic acid ester - Meta-dioxolane - Oxacycle - Organic metalloid salt - Organoheterocyclic compound - Acetal - Organic oxygen compound - Monoalkylborane - Alkylborane - Hydrocarbon derivative - Organooxygen compound - Organic metalloid moeity - 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

• Molecular Weight: 228.100 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 228.153 Da
• Monoisotopic Mass: 228.153 Da
• Topological Polar Surface Area: 36.900 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 232.000
• 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

References

1. Jiahao Yuan, Weini Huang, Wei Tong, Zihan Chen, Heming Li, Jiajing Chen, Zian Lin.  (2023)  In-situ growth of covalent organic framework on stainless steel needles as solid-phase microextraction probe coupled with electrospray ionization mass spectrometry for rapid and sensitive determination of tricyclic antidepressants in biosamples.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:37004299] [10.1016/j.chroma.2023.463955]

2. Shaojuan Yan, Jianhua Qu, Fuxuan Bi, Shuqi Wei, Siqi Wang, Zhao Jiang, Lei Wang, Hongwen Yu, Ying Zhang.  (2022)  One-pot synthesis of porous N-doped hydrochar for atrazine removal from aqueous phase: Co-activation and adsorption mechanisms.  BIORESOURCE TECHNOLOGY,      [PMID:36195221] [10.1016/j.biortech.2022.128056]