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Cas Database |
| Name |
4-(tert-Butoxy)benzaldehyde |
EINECS | 260-909-5 |
| CAS No. | 57699-45-3 | Density | 1.023 |
| PSA | 26.30000 | LogP | 2.67640 |
| Solubility | Insoluble in water | Melting Point |
N/A |
| Formula | C11H14 O2 | Boiling Point | 274.1 °C at 760 mmHg ,87-92°C 1,5mm |
| Molecular Weight | 178.231 | Flash Point | 114 °C |
| Transport Information | N/A | Appearance | clear yellow-green |
| Safety | 26-36 | Risk Codes | R36/37/38 |
| Molecular Structure |
|
Hazard Symbols |
|
| Synonyms |
4-((2-Methylpropan-2-yl)oxy)benzaldehyde;4-[(1,1-Dimethylethyl)oxy]benzaldehyde; 4-tert-Butoxybenzaldehyde;p-tert-Butoxybenzaldehyde |
Article Data | 10 |
4-(tert-Butoxy)benzaldehyde Synthetic route
| Conditions | Yield |
|---|---|
| With palladium diacetate; tri-tert-butyl phosphine In xylene at 120℃; for 1h; Substitution; Suzuki coupling; | 91% |
| Conditions | Yield |
|---|---|
| In dimethyl sulfoxide for 0.166667h; Heating; Irradiation; | 75% |
| Conditions | Yield |
|---|---|
| With zinc at 25℃; for 1h; Etherification; | 72% |
| Conditions | Yield |
|---|---|
| In dimethyl sulfoxide for 2h; Heating; Irradiation; | 68% |
- 104-88-1
4-chlorobenzaldehyde
- 865-48-5
sodium t-butanolate
A
- 100-52-7
benzaldehyde
B
- 57699-45-3
p-tert-butoxybenzaldehyde
| Conditions | Yield |
|---|---|
| With palladium diacetate; tri-tert-butyl phosphine In xylene at 120℃; for 2h; Substitution; Suzuki coupling; | A n/a B 60% |
- 24424-99-5
di-tert-butyl dicarbonate
- 123-08-0
4-hydroxy-benzaldehyde
- 57699-45-3
p-tert-butoxybenzaldehyde
| Conditions | Yield |
|---|---|
| scandium tris(trifluoromethanesulfonate) In dichloromethane at 20℃; for 5h; Product distribution; Further Variations:; Catalysts; Solvents; Temperatures; | 48% |
| Conditions | Yield |
|---|---|
| With zinc trifluoromethanesulfonate; zinc In toluene at 40℃; for 12h; Sealed tube; Schlenk technique; Molecular sieve; | 46% |
- 20461-86-3
2,2-diethoxy acetic acid
- 60876-70-2
4-tert-butoxybromobenzene
- 57699-45-3
p-tert-butoxybenzaldehyde
| Conditions | Yield |
|---|---|
| With nickel(II) chloride hexahydrate; (4s,6s)-2,4,5,6-tetra(9H-carbazol-9-yl)isophthalonitrile; caesium carbonate; 4,4'-di-tert-butyl-2,2'-bipyridine In N,N-dimethyl-formamide at 20℃; for 0.6h; Schlenk technique; Inert atmosphere; Flow reactor; | 45% |
| Conditions | Yield |
|---|---|
| With Amberlyst 15 In benzene for 17h; Yield given; |
- 51503-08-3
(4-(tert-butoxy)phenyl)methanol
- 57699-45-3
p-tert-butoxybenzaldehyde
| Conditions | Yield |
|---|---|
| With oxoammonium resin In dichloromethane at 20℃; for 1h; | |
| With polystyrene-supported 5-hydroxy-2-iodoxybenzoic acid In dichloromethane at 20℃; for 3h; | 95 % Chromat. |
| With oxygen; 6C68H44ClMnN12*8Zn(2+)*12C2F6NO4S2(1-)*4F6P(1-); Flavin mononucleotide; NADH In water; N,N-dimethyl-formamide; acetonitrile at 35℃; under 760.051 Torr; for 10h; | 22 %Chromat. |
4-(tert-Butoxy)benzaldehyde Chemical Properties
Product Name: Benzaldehyde,4-(1,1-dimethylethoxy)- (CAS NO.57699-45-3)
Molecular Formula: C11H14O2
Molecular Weight: 178.23g/mol
Mol File: 57699-45-3.mol
EINECS: 260-909-5
Sensitive: Air Sensitive
Index of Refraction: 1.525
Molar Refractivity: 53.54 cm3
Molar Volume: 174.6 cm3
Surface Tension: 34.5 dyne/cm
Density: 1.02 g/cm3
Flash Point: 114 °C
Enthalpy of Vaporization: 51.25 kJ/mol
Boiling Point: 274.1 °C at 760 mmHg
Vapour Pressure: 0.00552 mmHg at 25°C
XLogP3-AA: 2.7
H-Bond Donor: 0
H-Bond Acceptor: 2
Structure Descriptors of Benzaldehyde,4-(1,1-dimethylethoxy)- (CAS NO.57699-45-3):
IUPAC Name: 4-[(2-methylpropan-2-yl)oxy]benzaldehyde
Canonical SMILES: CC(C)(C)OC1=CC=C(C=C1)C=O
InChI: InChI=1S/C11H14O2/c1-11(2,3)13-10-6-4-9(8-12)5-7-10/h4-8H,1-3H3
InChIKey: VWSFZYXXQDKXKQ-UHFFFAOYSA-N
Product Categories: Aromatic Aldehydes & Derivatives (substituted); Aldehydes; C10 to C21; Carbonyl Compounds
4-(tert-Butoxy)benzaldehyde Safety Profile
Safety Information of Benzaldehyde,4-(1,1-dimethylethoxy)- (CAS NO.57699-45-3):
Hazard Codes: Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.
WGK Germany: 3
F: 10-23
4-(tert-Butoxy)benzaldehyde Specification
Benzaldehyde,4-(1,1-dimethylethoxy)- , its CAS NO. is 57699-45-3, the synonyms are p-tert-Butoxybenzaldehyde ; 4-(tert-Butyloxy)benzaldehyde ; 1-tert-Butoxy-4-formylbenzene .
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