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373384-14-6

373384-14-6 Structure

373384-14-6 Structure
IdentificationMore
[Name]

3-(DIMETHYLCARBAMOYL)PHENYLBORONIC ACID
[CAS]

373384-14-6
[Synonyms]

[3-[(DIMETHYLAMINO)CARBONYL]PHENYL]-BORONIC ACID
3-(DIMETHYLCARBAMOYL)PHENYLBORONIC ACID
3-(N,N-DIMETHYLAMINOCARBONYL)BENZENE BORONIC ACID
3-(N,N-DIMETHYLAMINOCARBONYL)PHENYLBORONIC ACID
N,N-DIMETHYL 3-BORONOBENZAMIDE
N,N-DIMETHYLBENZAMIDE-3-BORONIC ACID
3-(Dimethylaminocarbonyl)benzeneboronic acid
Boronic acid, [3-[(dimethylamino)carbonyl]phenyl]-(9CI)
[Molecular Formula]

C9H12BNO3
[MDL Number]

MFCD03412066
[Molecular Weight]

193.01
[MOL File]

373384-14-6.mol
Chemical PropertiesBack Directory
[Melting point ]

122-128°C
[Boiling point ]

423.0±47.0 °C(Predicted)
[density ]

1.20±0.1 g/cm3(Predicted)
[storage temp. ]

Keep Cold
[solubility ]

slightly sol. in Methanol
[form ]

powder to crystal
[pka]

7.94±0.10(Predicted)
[color ]

White to Almost white
[InChI]

InChI=1S/C9H12BNO3/c1-11(2)9(12)7-4-3-5-8(6-7)10(13)14/h3-6,13-14H,1-2H3
[InChIKey]

DCXXIDMHTQDSLY-UHFFFAOYSA-N
[SMILES]

B(C1=CC=CC(C(N(C)C)=O)=C1)(O)O
[CAS DataBase Reference]

373384-14-6(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 .
[Hazard Note ]

Irritant/Keep Cold
[HazardClass ]

IRRITANT
[HS Code ]

2931900090
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Diethyl ether-->Tetrahydrofuran-->Thionyl chloride-->n-Butyllithium-->Nitrogen-->Potassium permanganate-->Triisopropyl borate-->Dimethylamine-->2,2'-Bipyridine-->3-Bromotoluene
Spectrum DetailBack Directory
[Spectrum Detail]

3-(DIMETHYLCARBAMOYL)PHENYLBORONIC ACID(373384-14-6)1HNMR
Hazard InformationBack Directory
[Synthesis]

Sodium hydroxide (5. 84 g, 146 mmol) was dissolved in 300 mL of water, p-methylphenylboronic acid (10. 00 g, 73 ) was added. mmol), and add potassium permanganate (23. 05 g, 146 mmol) in water (500 mL) slowly in batches. After addition, the temperature wa
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