(4-(Pentan-3-ylcarbamoyl)phenyl)boronic acid CAS 956894-13-6
| CAS No. | 956894-13-6 |
| Molecular Formula | C12H18BNO3 |
| Molecular Weight | 235.09 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
(4-(Pentan-3-ylcarbamoyl)phenyl)boronic acid (CAS 956894-13-6) is a high-purity analytical reference standard with the molecular formula C12H18BNO3 and a molecular weight of 235.09 g/mol.
(4-(Pentan-3-ylcarbamoyl)phenyl)boronic acid (C12H18BNO3) contains an amino-acid-derived structure, an amide group, a hydroxyl group, an ether linkage. It is notably hygroscopic, its high carbon-to-hydrogen ratio confers good lipid solubility, the carboxyl group imparts weak acidity; these physicochemical properties determine the optimal preparation and storage of its standard solutions. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
The assigned purity is verified by mass-balance and quantitative NMR (qNMR) approaches, with the expanded uncertainty reported at a 95% confidence level (k=2). Batch homogeneity and stability are independently assessed for every lot.
Physical & Chemical Properties
| Molecular Formula | C12H18BNO3 |
| Molecular Weight | 235.09 g/mol |
| Appearance | Off-white to pale yellow crystalline powder |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening |
| Degree of Unsaturation (DBE) | 4.5 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Nitrogen Atoms | 1 |
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Recommended Standards
- (4-(3,3-Dimethylbutanamido)phenyl)boronic acid (CAS 2246887-09-0)
- (4-(Pivalamidomethyl)phenyl)boronic acid (CAS 2246677-65-4)
- (4-(2-(Pyrrolidin-1-yl)ethoxy)phenyl)boronic acid (CAS 226396-30-1)
- (4-Methoxy-3-(pyrrolidin-1-ylmethyl)phenyl)boronic acid (CAS 577795-69-8)
- 2'-(Methylthio)-[1,1'-biphenyl]-2-carboxylic acid (CAS 186295-30-7)
- 1-(4-Bromophenyl)butan-1-amine (CAS 146781-56-8)
- Indolin-6-ol hydrochloride (CAS 19727-91-4)
- Ethyl 2-amino-2-(10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-yl)acetate hydrochloride (CAS 147900-32-1)
- {1-[amino(thiophen-2-yl)methyl]cyclobutyl}methanol (CAS 1858005-56-7)
- 5-Methoxybenzo[c][1,2]oxaborol-1(3H)-ol (CAS 174671-92-2)
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- 2,2,2-Trifluoro-1-(piperidin-4-yl)ethanone oxalate (CAS 1182349-50-3)
- ((2R,3R,4R,5R)-3-Acetoxy-4-chloro-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl)methyl acetate (CAS 10190-39-3)
- Semaglutide impurity 97 (CAS CATO-C4X-222697)
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