| Identification | More | [Name]
4-(N,N-DIMETHYLAMINOCARBONYL)PHENYLBORONIC ACID | [CAS]
405520-68-5 | [Synonyms]
4-(DIMETHYLAMINO)-CARBONYL-BENZENEBORONIC ACID
4-[(DIMETHYLAMINO)CARBONYL]PHENYLBORONIC ACID
4-(DIMETHYLCARBAMOYL)PHENYLBORONIC ACID
4-(N,N-DIMETHYLAMINOCARBONYL)BENZENE BORONIC ACID
4-(N,N-DIMETHYLAMINOCARBONYL)PHENYLBORONIC ACID
4-(N,N-DIMETHYLCARBAMOYL)PHENYLBORONIC ACID
N,N-DIMETHYL 4-BORONOBENZAMIDE
4-(N,N-DIMENTHYLAMINOCARBONY)PHENYLNORORNIC ACID
Boronic acid, [4-[(dimethylamino)carbonyl]phenyl]-(9CI)
4-(N,N-dimethylaminomethyl)phenylboronic acid
4-(Dimethylaminocarbonyl)benzeneboronic acid 97% | [Molecular Formula]
C9H12BNO3 | [MDL Number]
MFCD02258943 | [Molecular Weight]
193.01 | [MOL File]
405520-68-5.mol |
| Chemical Properties | Back Directory | [Melting point ]
141-145 °C | [Boiling point ]
407.4±47.0 °C(Predicted) | [density ]
1.20±0.1 g/cm3(Predicted) | [storage temp. ]
Keep Cold | [form ]
powder to crystal | [pka]
7.76±0.10(Predicted) | [color ]
White to Almost white | [Water Solubility ]
Slightly soluble in water. | [InChI]
InChI=1S/C9H12BNO3/c1-11(2)9(12)7-3-5-8(6-4-7)10(13)14/h3-6,13-14H,1-2H3 | [InChIKey]
QJYYVSIRDJVQJW-UHFFFAOYSA-N | [SMILES]
B(C1=CC=C(C(N(C)C)=O)C=C1)(O)O | [CAS DataBase Reference]
405520-68-5(CAS DataBase Reference) |
| Safety Data | Back Directory | [Symbol(GHS) ]
GHS07 | [Signal word ]
Warning | [Hazard statements ]
H315-H319-H335 | [Precautionary statements ]
P261-P264-P271-P280-P302+P352-P305+P351+P338 | [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 . | [WGK Germany ]
1 | [Hazard Note ]
Irritant/Keep Cold | [HS Code ]
2931900090 |
| Hazard Information | Back Directory | [Chemical Properties]
White Crysstalline | [Uses]
4-(Dimethylcarbamoyl)benzeneboronic acid used in coupling reactions and as intermediates. | [Uses]
Reactant for preparation of:• ;Selective glucocorticoid receptor agonists1• ;(thienopyridine)carboxamides as checkpoint 1 kinase (CHK1) inhibitors2• ;[(pyrrolo[2,3-b]pyridinyl)methylene]hydroxybenzofuranones as ATP-competitive inhibitors of the mammalian target of rapamycin3• ;Pyrrolopyridines as inhibitors of insulin-like growth factor-1 receptor tyrosine kinase4Reactant for:• ;Copper-mediated N-arylation of quinazolinediones5 | [General Description]
May contain varying amounts of anhydride |
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