1-Cyclopentenylboronic acid pinacol ester - ≥98% , CAS No.287944-10-9

CAS: 287944-10-9 Cat. No.: C333740 Molecular Weight: 194.08 EC Number: 801-068-1

GRADE & PURITY ≥98%

Synonyms

FT-0690026 | C11H19BO2 | AKOS006290766 | Cyclopenten-1-ylboronic acid,pinacol ester | EN300-98773 | 2-(1-Cyclopentenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane | Cyclopentene-1-boronic acid, pinacol ester | MFCD08669391 | SCHEMBL169762 | BDBM50428854 | BD

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

FT-0690026 | C11H19BO2 | AKOS006290766 | Cyclopenten-1-ylboronic acid, pinacol ester | EN300-98773 | 2-(1-Cyclopentenyl)-4, 4, 5, 5-tetramethyl-1, 3, 2-dioxaborolane | Cyclopentene-1-boronic acid, pinacol ester | MFCD08669391 | SCHEMBL169762 | BDBM50428854 | BD

Specifications & Purity

≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

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

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504767870
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504767870
• Canonical Smiles: B1(OC(C(O1)(C)C)(C)C)C2=CCCC2
• IUPAC Name: 2-(cyclopenten-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• InChIKey: JFTZVYKESKQING-UHFFFAOYSA-N
• INCHI: 1S/C11H19BO2/c1-10(2)11(3,4)14-12(13-10)9-7-5-6-8-9/h7H,5-6,8H2,1-4H3
• Isomeric SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CCCC2
• Molecular Weight: 194.08
• Reaxy-Rn: 8546422
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8546422&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 Oxacyclic compounds Organic metalloid salts Organooxygen compounds Organometalloid compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: 1,3,2-dioxaborolane - Boronic acid ester - Oxacycle - Organic metalloid salt - Organoheterocyclic compound - Organic oxygen compound - 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

Associated Targets(Human)

P2RX7 Tchem P2X purinoceptor 7 (2 Activities)

Discover Target: P2RX7

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Mechanisms of Action

Chemical and Physical Properties

• Refractive Index: 1.46
• Flash Point(°C): 81 °C
• Molecular Weight: 194.080 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 194.148 Da
• Monoisotopic Mass: 194.148 Da
• Topological Polar Surface Area: 18.500 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 252.000
• 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