3-(N-Methylaminocarbonyl)phenylboronic acid

Base Information

• Chemical Name: 3-(N-Methylaminocarbonyl)phenylboronic acid
• CAS No.: 832695-88-2
• Molecular Formula: C₈H₁₀BNO₃
• Molecular Weight: 178.983
• Hs Code.: 2931900090
• European Community (EC) Number: 800-535-7
• DSSTox Substance ID: DTXSID90378523
• Wikidata: Q82168009
• Mol file: 832695-88-2.mol

Synonyms:832695-88-2;3-(N-Methylaminocarbonyl)phenylboronic acid;(3-(Methylcarbamoyl)phenyl)boronic acid;3-(Methylcarbamoyl)benzeneboronic acid;3-(methylcarbamoyl)phenylboronic acid;[3-(methylcarbamoyl)phenyl]boronic Acid;3-(N-Methylaminocarbonyl)benzeneboronic acid;Boronic acid, [3-[(methylamino)carbonyl]phenyl]-;MFCD04038918;3-(METHYLAMINOCARBONYL)BENZENEBORONIC ACID;SCHEMBL190230;DTXSID90378523;FYFFPNFUVMBPRZ-UHFFFAOYSA-N;3-(methyl-carbamoyl)phenylboronic acid;AKOS005256306;(3-(Methylcarbamoyl)phenyl)boronicacid;3-methylaminocarbonylbenzeneboronic acid;AB17210;CS-W000977;3-(N-methylcarbamoyl)phenylboronic acid;AM804383;AS-17586;(3-methylamino carbonylphenyl)boronic acid;3-[(methylamino)carbonyl]phenylboronic acid;3-(N-methylaminocarbonyl)phenyl boronic acid;FT-0646588;{3-[(methylamino)carbonyl]phenyl}boronic acid;3-(METHYLAMINOCARBONYL)PHENYLBORONIC ACID;EN300-7368000;J-501085;3-(N-Methylaminocarbonyl)benzeneboronic acid, AldrichCPR;Z1171974291

Chemical Property of 3-(N-Methylaminocarbonyl)phenylboronic acid

Chemical Property:

• Melting Point: 114-124°C
• PKA: 7.70±0.10(Predicted)
• PSA: 69.56000
• Density: 1.23g/cm3
• LogP: -0.88310
• Storage Temp.: Sealed in dry,Room Temperature
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 179.0753733
• Heavy Atom Count: 13
• Complexity: 186

Purity/Quality:

96% 1H NMR ^*data from raw suppliers

3-(Methylaminocarbonyl)benzeneboronicAcid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi,Xn
• Statements: 36/37/38-43-41-37/38-22
• Safety Statements: 26-36/37/39-39-36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: B(C1=CC(=CC=C1)C(=O)NC)(O)O
• Uses: 3-(N-METHYLAMINOCARBONYL)PHENYLBORONIC ACID is used in the preparation of thiazolopyridinylacetamide derivatives and analogs for use as PI3K and mTOR kinase inhibitors.