4-(E-2-Carboxyvinyl)phenylboronic acid - ≥96% , CAS No.159896-15-8

CAS: 159896-15-8 Cat. No.: E181840 Molecular Weight: 192 EC Number: 687-142-2

GRADE & PURITY ≥96%

Synonyms

4-(E-2-Carboxyvinyl)phenylboronic acid | A809128 | (2E)-3-[4-(DIHYDROXYBORANYL)PHENYL]PROP-2-ENOIC ACID | 4-[(E)-2-Carboxyvinyl]benzeneboronic acid | 4-(TRANS-2-CARBOXYVINYL)PHENYLBORONIC ACID | 4-(CARBOXYVIN-2-YL)PHENYLBORONIC ACID | 4-(E-2-Carboxyvinyl)

Storage

Room temperature

Shipped In

Normal

Overview

Product Application：

Reactant for: Preparation of nickel thiocyanate pyridylphenylpropenate polymeric complex.

Specifications

Synonyms

4-(E-2-Carboxyvinyl)phenylboronic acid | A809128 | (2E)-3-[4-(DIHYDROXYBORANYL)PHENYL]PROP-2-ENOIC ACID | 4-[(E)-2-Carboxyvinyl]benzeneboronic acid | 4-(TRANS-2-CARBOXYVINYL)PHENYLBORONIC ACID | 4-(CARBOXYVIN-2-YL)PHENYLBORONIC ACID | 4-(E-2-Carboxyvinyl)

Specifications & Purity

≥96%

Storage

Room temperature

Shipped In

Normal

Purity

≥96%

Names and Identifiers

• Pubchem Sid: 504763514
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504763514
• Canonical Smiles: B(C1=CC=C(C=C1)C=CC(=O)O)(O)O
• IUPAC Name: (E)-3-(4-boronophenyl)prop-2-enoic acid
• InChIKey: IEMLKNHGGSYOMP-ZZXKWVIFSA-N
• INCHI: 1S/C9H9BO4/c11-9(12)6-3-7-1-4-8(5-2-7)10(13)14/h1-6,13-14H,(H,11,12)/b6-3+
• Isomeric SMILES: B(C1=CC=C(C=C1)/C=C/C(=O)O)(O)O
• Molecular Weight: 192
• Reaxy-Rn: 14267495
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14267495&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Class Cinnamic acids and derivatives
      • Subclass Cinnamic acids

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Class: Cinnamic acids and derivatives
• Subclass: Cinnamic acids
• Intermediate Tree Nodes: Not available
• Direct Parent: Cinnamic acids
• Alternative Parents: Styrenes Boronic acids Organic metalloid salts Monocarboxylic acids and derivatives Carboxylic acids Organoboron compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Cinnamic acid - Styrene - Monocyclic benzene moiety - Benzenoid - Boronic acid derivative - Boronic acid - Organic metalloid salt - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxygen compound - Organoboron compound - Organooxygen compound - Organic salt - Carbonyl group - Hydrocarbon derivative - Organic oxide - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as cinnamic acids. These are organic aromatic compounds containing a benzene and a carboxylic acid group forming 3-phenylprop-2-enoic acid.
• 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(non-human)

ampC Beta-lactamase AmpC (62480 Activities)

Discover Target: ampC

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Melt Point(°C): 187-193 °C
• Molecular Weight: 191.980 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 192.059 Da
• Monoisotopic Mass: 192.059 Da
• Topological Polar Surface Area: 77.800 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 219.000
• 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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