4-(5,5-Dimethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde
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4-(5,5-Dimethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde
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CAS No:
128376-65-8
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Formula:
C12H15BO3
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Chemical Name:
4-(5,5-Dimethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde
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Synonyms:
AKOS BRN-0004;4-(5,5-DIMETHYL-1,3,2-DIOXABORINAN-2-YL)BENZALDEHYDE;4-(5,5-Dimethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde;4-FORMYLPHENYLBORONIC ACID, NEOPENTYL GLYCOL CYCLIC ESTER;4-FORMYLBENZENEBORONIC ACID 2,2-DIMETHYLPROPANEDIOL-1,3 CYCLIC ESTER;2-(4-FORMYLPHENYL)-5,5-DIMETHYL-1,3,2-DIOXABORANE;4-(5,5-Dimethyl-1,3,2-dioxaborin-2-yl)benzaldehyde;4-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)benzaldehyde, 5,5-Dimethyl-2-(4-formylphenyl)-1,3,2-dioxaborinane
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CAS No:
4-(5,5-Dimethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde Basic Attributes
218.06
218.111420
DTXSID90400696
2934999090
Characteristics
35.5
1.08±0.1 g/cm3(Predicted)
58-60 °C
350.5±25.0 °C(Predicted)
165.8±23.2 °C
1.505
Safety Information
Xi
Irritant
P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, P501
H302
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
4-(5,5-Dimethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde Use and Manufacturing
To a solution of 4-formylphenylboronic acid (4.11 g) in anhydrous tetrahydrofuran (THF) (40 ml_) was added 2, 2-dimethyl-1 , 3-propanediol (3.14 g) and the mixture was stirred at room temperature for 2 hours. The solvent was evaporated to dryness. The residue was dissolved in dichloromethane (120 ml_), washed with water (80 ml_ x 3), dried and evaporated under vacuum to obtain 4-(5, 5-dimethyl-[1 , 3, 2]dioxaborinan-2-yl)-benzaldehyde (5.66 g, 95percent yield).A round-bottom flask charged with the aryl halide (5.0 mmol, 1.0 equiv), Ni (For exact amount of catalyst and co-ligand see Table 8; 10percent loading was used for Ni catalysts not specified in Table 8). (NiCl
Computed Properties
Molecular Weight:218.06
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:218.1114245
Monoisotopic Mass:218.1114245
Topological Polar Surface Area:35.5
Heavy Atom Count:16
Complexity:237
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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4-(5,5-Dimethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde
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