4-(4-Oxopiperidine-1-carbonyl)phenylboronic acid
Basic information
- CAS
850568-23-9- Standard SMILES
O=C1CCN(C(=O)c2ccc(B(O)O)cc2)CC1- InChIKey
AIAPQNNEMPKYKZ-UHFFFAOYSA-N- Molecular formula
- C12H14BNO4
- Average molar mass
- 247.06 g/mol
- Monoisotopic mass
- 247.1015881
Names & identifiers
- Preferred name
- 4-(4-Oxopiperidine-1-carbonyl)phenylboronic acid
- IUPAC
- [4-(4-oxopiperidine-1-carbonyl)phenyl]boronic acid
- English name
- 4-(4-Oxopiperidine-1-carbonyl)phenylboronic acid
- Molecular formula
- C12H14BNO4
- Molecular weight
- 247.05
Names & synonyms
850568-23-94-(4-Oxopiperidine-1-carbonyl)phenylboronic acid(4-(4-Oxopiperidine-1-carbonyl)phenyl)boronic acid4-(4-Oxopiperidin-1-ylcarbonyl)benzeneboronic acid[4-(4-oxopiperidine-1-carbonyl)phenyl]boronic Acid4-[(4-Oxopiperidin-1-yl)carbonyl]benzeneboronic acidMFCD04115679SCHEMBL1490905DTXSID90394920(2S)-[[(1,1-Dimethylethoxy)carbonyl]amino]-hexanedioic Acid 6-Methyl EsterAKOS015855353AB20375
Show more names
N-OXOPIPERIDINYL 4-BORONOBENZAMIDE4-Oxo-1-(4-boronobenzoyl)piperidine(4-boronophenyl)(4-oxopiperidin-1-yl)methanone4-(4-OXOPIPERIDINE-1-CARBONYL)BENZENEBORONIC ACID4-(4-Oxopiperidin-1-ylcarbonyl)benzeneboronic acid 95%4-[(4-Oxopiperidin-1-yl)carbonyl]benzeneboronicacid95%4-(4-Oxo-1-piperidinylcarbonyl)benzeneboronic acid, 95%Boronic acid, B-[4-[(4-oxo-1-piperidinyl)carbonyl]phenyl]-
PS-9547FO160725CS-0174612F87529EN300-7390246(4-(4-Oxopiperidine-1-carbonyl)phenyl)boronicacidF211924{4-[(4-Oxo-1-piperidinyl)carbonyl]phenyl}boronic acid
Database identifiers
- CAS
850568-23-9- PubChem CID
- 3676850
- DTXSID
DTXSID90394920
Properties
Computed structural properties
- Topological polar surface area
- 77.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 316
Physicochemical properties
- Melting point
- 156 · 156-160°C
- storage temp.
- 2 · Inert atmosphere,2-8°C
- form
- powder
- color
- White to off-white
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36/37/39
- Hazard Note
- Harmful/Irritant/Keep Cold
- HS Code
- 2933399990 · 2933399990
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2933399990
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Harmful/Irritant/Keep Cold
- safety_code
- 26-36/37/39
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Applications
UsesB-[4-[(4-Oxo-1-piperidinyl)carbonyl]phenyl]boronic Acid can be used as reactant/reagent in preparation of 6,11-dihydro-5H-benzo[d]imidazo[1,2-a]azepines derivatives as histamine H4 receptor ligands for therapy.
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Compound notes
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