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Home > Encyclopedia > 3-ETHYLPHENYLBORONICACID

3-ETHYLPHENYLBORONICACID

3-ETHYLPHENYLBORONICACID structure

3-ETHYLPHENYLBORONICACID 

structure
  • CAS No:

    90555-65-0

  • Formula:

    C8H11BO2

  • Chemical Name:

    3-ETHYLPHENYLBORONICACID

  • Synonyms:

    3-Ethylphenylboronic acid;(3-ethylphenyl)boronic acid;3-Ethylphenylboronicacid;Boronic acid, (3-ethylphenyl)-;Thyl3-methylbut-2-enoate;3-ethylphenyl boronic acid;ACMC-209r6p;3-(Ethylphenyl)boronic acid;SCHEMBL692342;M-ETHYLPHENYLBORONIC ACID

  • Categories:

    Chemical Reagents  >  Organic Reagents

3-ETHYLPHENYLBORONICACID Basic Attributes

149.98

150.085205

DTXSID70586043

2931900090

Characteristics

40.5

1.1±0.1 g/cm3

102.5-107.5 C

135.0±25.4 °C

1.521

Safety Information

NONH for all modes of transport

3

36/37/38-36/38

26-36/37

Xi

P305 + P351 + P338

H315-H319

3-ETHYLPHENYLBORONICACID Use and Manufacturing

A solution of l-bromo-3-ethylbenzene (2.8Og, 15mmol) and tetrahydrofuran (4OmL) were stirred at -78°C under nitrogen. N-butyllithium (1OmL, 16 mmol) was added and stirred for 10 mins. Triisopropyl borate in THF (6.92 mL, 30 mmol) was added and allowed to come to room temperature. 1 M HCl (5OmL) was added and extract with ether (10OmL). Ether was dried over Na2SO4, filtered, and dried. The crude residue was recystallized in water, and washed in hexanes to yield 0.591 g (26percent) of 3- ethylphenylboronic acid. MS (M+ACN)+ 195PREPARATION 62

Computed Properties

Molecular Weight:149.98
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:150.0852098
Monoisotopic Mass:150.0852098
Topological Polar Surface Area:40.5
Heavy Atom Count:11
Complexity:117
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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