ChemicalBook--->CAS DataBase List--->55499-44-0

55499-44-0

55499-44-0 Structure

55499-44-0 Structure
IdentificationMore
[Name]

2,4-DIMETHYLPHENYLBORONIC ACID
[CAS]

55499-44-0
[Synonyms]

2,4-DIMETHYLBENZENEBORONIC ACID
2,4-DIMETHYLPHENYLBORONIC ACID
AKOS BRN-0225
M-XYLENE-4-BORONIC ACID
2,4-Dimethylphenylboronic
2,4-Dimethylphenylboronic Acid (contains varying amounts of Anhydride)
[Molecular Formula]

C8H11BO2
[MDL Number]

MFCD02683101
[Molecular Weight]

149.98
[MOL File]

55499-44-0.mol
Chemical PropertiesBack Directory
[Melting point ]

204-208°C
[Boiling point ]

292.4±50.0 °C(Predicted)
[density ]

1.07±0.1 g/cm3(Predicted)
[storage temp. ]

Keep in dark place,Sealed in dry,Room Temperature
[Water Solubility ]

Slightly soluble in water
[form ]

powder to crystal
[pka]

8.92±0.58(Predicted)
[color ]

White to Light yellow
[InChI]

1S/C8H11BO2/c1-6-3-4-8(9(10)11)7(2)5-6/h3-5,10-11H,1-2H3
[InChIKey]

TYONHSPZXLFWKI-UHFFFAOYSA-N
[SMILES]

Cc1ccc(B(O)O)c(C)c1
[CAS DataBase Reference]

55499-44-0(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S36/37:Wear suitable protective clothing and gloves .
[WGK Germany ]

3
[Hazard Note ]

Irritant
[HazardClass ]

IRRITANT
[HS Code ]

29319090
[Storage Class]

13 - Non Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
Hazard InformationBack Directory
[Chemical Properties]

White powder
[Uses]

suzuki reaction
[Synthesis]

Triisopropyl borate

5419-55-6

2,4-Dimethylbromobenzene

583-70-0

2,4-DIMETHYLPHENYLBORONIC ACID

55499-44-0

The general procedure for the synthesis of 2,4-dimethylphenylboronic acid from triisopropyl borate and 2,4-dimethylbromobenzene was as follows: 3.42 g (0.140 mol) of magnesium and 9 mL of tetrahydrofuran were added to a reaction vessel fitted with a dropping funnel under nitrogen protection. Subsequently, a solution consisting of 20.0 g (0.108 mol) of 2,4-dimethylbromobenzene dissolved in 60 mL of tetrahydrofuran (Eq. I-4-1) was added dropwise to prepare the Grignard reagent. After the reaction mixture was stirred for 2 hours, 14.6 g (0.140 mol) of trimethyl borate was added slowly and dropwise. After continued stirring for 2 hours, hydrochloric acid was added and stirred for 1 hour. Upon completion of the reaction, the organic layer was separated, washed with brine, and then the solvent was removed by distillation to afford 15.4 g (0.103 mol) of 2,4-dimethylphenylboronic acid (Formula I-4-2).

[References]

[1] Patent: JP2015/110532, 2015, A. Location in patent: Paragraph 0132-0133
Spectrum DetailBack Directory
[Spectrum Detail]

2,4-DIMETHYLPHENYLBORONIC ACID(55499-44-0)1HNMR
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

2,4-Dimethylbenzeneboronic acid, 97%(55499-44-0)
[TCI AMERICA]

2,4-Dimethylphenylboronic Acid  (contains varying amounts of Anhydride)(55499-44-0)
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