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Home > Encyclopedia > 2,5-Dimethylphenylboronic acid

2,5-Dimethylphenylboronic acid

2,5-Dimethylphenylboronic acid structure

2,5-Dimethylphenylboronic acid 

structure
  • CAS No:

    85199-06-0

  • Formula:

    C8H11BO2

  • Chemical Name:

    2,5-Dimethylphenylboronic acid

  • Synonyms:

    P-XYLENE-2-BORONIC ACID;RARECHEM AH PB 0089;RARECHEM AH PB 0196;CHEMBRDG-BB 4003297;AKOS BRN-0086;AKOS BRN-0066;2,5-DIMETHYLPHENYLBORONIC ACID;2,5-DIMETHYLBENZENEBORONIC ACID

  • Categories:

    Organic Chemistry  >  Coordination Complexes

Description

white to light yellow crystal powde

2,5-Dimethylphenylboronic acid Basic Attributes

149.98

150.085205

3241785

DTXSID80370238

2931900090

Characteristics

40.5

1.1±0.1 g/cm3

186-191 °C(lit.)

305.1°C at 760 mmHg

138.3±30.7 °C

1.523

0-6°C

Safety Information

IRRITANT

NONH for all modes of transport

3

36/37/38-22

37/39-26-36/37

Xn,Xi

Irritant

P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501

H315

|Warning|H302 (14.29%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 7 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

2,5-Dimethylphenylboronic acid Use and Manufacturing

Methods of Manufacturing

1L round bottom flask, 1-bromo-2, 5-dimethylbenzene (25.0g, 0.135mol), into 200mlof tetrahydrofuran was cooled to -78 ° C under a nitrogen atmosphere.To the cooled solution was added dropwise a 1.6M n-butyllithium (101ml, 0.162mol).After 2 hours stirring at the same temperature was added dropwise trimethyl borate(18.2g, 0.176mol).Put the 1 normal hydrochloric acid and then stirred for 1 hour at room temperature thesolution was acidified.The mixture was concentrated under reduced pressure, and recrystallized with nhexaneto give the [intermediate 1-b].(12.5g, 62percent)

Uses

suzuki reaction

Computed Properties

Molecular Weight:149.98
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:150.0852098
Monoisotopic Mass:150.0852098
Topological Polar Surface Area:40.5
Heavy Atom Count:11
Complexity:127
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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