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CAS No.: | 40150-98-9 |
---|---|
Name: | 4-Isobutylbenzaldehyde |
Article Data: | 10 |
Molecular Structure: | |
Formula: | C11H14O |
Molecular Weight: | 162.232 |
Synonyms: | 4-(2-Methylpropyl)benzaldehyde;p-(2-Methylpropyl)phenylaldehyde;p-Isobutylbenzaldehyde; |
EINECS: | 464-400-0 |
Density: | 0.97 g/cm3 |
Boiling Point: | 251.112 °C at 760 mmHg |
Flash Point: | 100.816 °C |
Risk Codes: | 36/37/38 |
Safety: | 26-36/37/39 |
PSA: | 17.07000 |
LogP: | 2.69760 |
(4-isobutyl-phenyl)-methanol
4-(2-methyl-1-propyl)benzaldehyde
Conditions | Yield |
---|---|
With pyridinium chlorochromate In dichloromethane for 3h; | 89% |
N-Formylpiperidine
1-iodo-4-isobutylbenzene
4-(2-methyl-1-propyl)benzaldehyde
Conditions | Yield |
---|---|
With n-butyllithium | 84% |
ibuprofen
A
4-(2-methyl-1-propyl)benzaldehyde
B
1-(4-isobutyl-phenyl)-ethanone
C
2-(4-formylphenyl)propanoic acid
D
1-ethyl-4-(2-methylpropyl)benzene
E
1-(4-isobutylphenyl)ethanol
F
2-(4'-isobutyrylphenyl)propionic acid
Conditions | Yield |
---|---|
With 1,3,6,8-tetrahydro-2,4,5,7-pyrimido<5,4-g>pteridinetetrone; oxygen In acetonitrile for 3h; Product distribution; Mechanism; Ambient temperature; Irradiation; other reagents; | A 2.2% B 18% C 1.7% D n/a E 37.1% F 1.1% |
4-isobutylaniline
4-(2-methyl-1-propyl)benzaldehyde
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: 84 percent / BuLi View Scheme |
1-(4-isobutyl-phenyl)-ethanone
4-(2-methyl-1-propyl)benzaldehyde
Conditions | Yield |
---|---|
Multi-step reaction with 3 steps 1: 38 percent / aq. sodium hypochlorite / 12 h / Heating 2: borane / tetrahydrofuran / 3 h / Ambient temperature 3: 89 percent / pyridinium chlorochromate / CH2Cl2 / 3 h View Scheme |
4-isobutylbenzoic acid
4-(2-methyl-1-propyl)benzaldehyde
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: borane / tetrahydrofuran / 3 h / Ambient temperature 2: 89 percent / pyridinium chlorochromate / CH2Cl2 / 3 h View Scheme | |
Multi-step reaction with 2 steps 1: 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; benzotriazol-1-ol / N,N-dimethyl-formamide; acetonitrile 2: diisobutylaluminium hydride / toluene / -78 °C View Scheme | |
Multi-step reaction with 2 steps 1: benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine / N,N-dimethyl-formamide; acetonitrile / 0 - 20 °C 2: diisobutylaluminium hydride / toluene / 0.33 h / -78 °C View Scheme |
1-phenyl-2-methylpropane
carbon monoxide
4-(2-methyl-1-propyl)benzaldehyde
Conditions | Yield |
---|---|
With methyl-cyclopentane; hydrogen fluoride; boron trifluoride at -25 - -15℃; under 15001.5 Torr; for 1.5h; Product distribution / selectivity; | |
With hydrogen fluoride; boron trifluoride at -25 - -15℃; under 15001.5 Torr; for 1.5h; Product distribution / selectivity; |
1-phenyl-2-methylpropane
4-(2-methyl-1-propyl)benzaldehyde
Conditions | Yield |
---|---|
With hydrogenchloride; aluminium trichloride In benzene |
4-isobutyl-N-methoxy-N-methylbenzamide
4-(2-methyl-1-propyl)benzaldehyde
Conditions | Yield |
---|---|
With diisobutylaluminium hydride In toluene at -78℃; | |
With diisobutylaluminium hydride In toluene at -78℃; for 0.333333h; |
t-butyl bromide
4-bromo-benzaldehyde
A
4-(2-methyl-1-propyl)benzaldehyde
B
4-tert-Butylbenzaldehyde
Conditions | Yield |
---|---|
With pyridine; bis(acetylacetonate)nickel(II); magnesium chloride; zinc; 1,3-diisopropyl-1H-imidazol-3-ium chloride In N,N-dimethyl acetamide at 25℃; for 12h; Reagent/catalyst; Inert atmosphere; Schlenk technique; Overall yield = 76 %; Overall yield = 37.1 mg; |
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Product Name: Benzaldehyde,4-(2-methylpropyl)- (CAS NO.40150-98-9)
Molecular Formula: C11H14O
Molecular Weight: 162.23g/mol
Mol File: 40150-98-9.mol
Index of Refraction: 1.531
Molar Refractivity: 51.77 cm3
Molar Volume: 167.3 cm3
Surface Tension: 34.6 dyne/cm
Density: 0.969 g/cm3
Flash Point: 100.8 °C
Enthalpy of Vaporization: 48.84 kJ/mol
Boiling Point: 251.1 °C at 760 mmHg
Vapour Pressure: 0.0208 mmHg at 25°C
XLogP3-AA: 3
H-Bond Donor: 0
H-Bond Acceptor: 1
Structure Descriptors of Benzaldehyde,4-(2-methylpropyl)- (CAS NO.40150-98-9):
IUPAC Name: 4-(2-methylpropyl)benzaldehyde
Canonical SMILES: CC(C)CC1=CC=C(C=C1)C=O
InChI: InChI=1S/C11H14O/c1-9(2)7-10-3-5-11(8-12)6-4-10/h3-6,8-9H,7H2,1-2H3
InChIKey: LXPWGAZYJHUWPM-UHFFFAOYSA-N
Product Categories: Aromatic Aldehydes & Derivatives (substituted)
Safety Information of Benzaldehyde,4-(2-methylpropyl)- (CAS NO.40150-98-9):
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36/37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
Benzaldehyde,4-(2-methylpropyl)- , its CAS NO. is 40150-98-9, the synonyms are 4-(2-Methylpropyl)benzaldehyde ; 4-Isobutylbenzaldehyde .