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2538-98-9

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Basic Information
CAS No.: 2538-98-9
Name: 4-ISOPROPOXY-3-METHOXY-BENZALDEHYDE
Article Data: 28
Molecular Structure:
Molecular Structure of 2538-98-9 (4-ISOPROPOXY-3-METHOXY-BENZALDEHYDE)
Formula: C11H14O3
Molecular Weight: 194.23
Synonyms: Benzaldehyde,4-isopropoxy-3-methoxy- (6CI,7CI,8CI);3-Methoxy-4-isopropoxybenzaldehyde;4-Isopropoxy-3-methoxybenzaldehyde;
Density: 1.064 g/cm3
Boiling Point: 297.9 °C at 760mmHg
Flash Point: 124.8 °C
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36/37/38
PSA: 35.53000
LogP: 2.29490
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Synthetic route
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Conditions
ConditionsYield
100%
With potassium carbonate In N,N-dimethyl-formamide at 18℃; for 19h;100%
With potassium carbonate In N,N-dimethyl-formamide at 80℃; for 1h;100%
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isopropyl bromide

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4-isopropyloxy-3-methoxybenzaldehyde

Conditions
ConditionsYield
With ethanol
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4-isopropyloxy-3-methoxybenzaldehyde

Conditions
ConditionsYield
With potassium carbonate In N,N-dimethyl-formamide at 20℃;
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2-methoxy-phenol

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4-isopropyloxy-3-methoxybenzaldehyde

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: potassium carbonate; potassium iodide / ethanol / 24 h / Reflux
2: trichlorophosphate / 19 h / 100 - 115 °C / Cooling with ice
View Scheme
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o-methoxyphenyl i-propyl ether

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N-methyl-N-phenylformamide

A

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B

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Conditions
ConditionsYield
With trichlorophosphate at 100 - 115℃; for 19h; Vilsmeier-Haack Formylation; Cooling with ice; Overall yield = 84.4 %; Overall yield = 6.5 g;
...Expand
121-33-5

vanillin

isopropyl halide

isopropyl halide

2538-98-9

4-isopropyloxy-3-methoxybenzaldehyde

Conditions
ConditionsYield
With potassium carbonate In acetone
2538-98-9

4-isopropyloxy-3-methoxybenzaldehyde

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2,2-dimethoxyethylamine

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Conditions
ConditionsYield
In benzene for 1h; Heating;100%
2538-98-9

4-isopropyloxy-3-methoxybenzaldehyde

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Conditions
ConditionsYield
With hydroxylamine hydrochloride98%
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1-(4-isopropoxy-2,3,6-trimethoxyphenyl)ethanone

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Conditions
ConditionsYield
With sodium hydroxide In methanol at 20℃; for 12h; Aldol condensation;97%
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diethoxyphosphoryl-acetic acid ethyl ester

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Conditions
ConditionsYield
91%
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Specification

The Benzaldehyde,3-methoxy-4-(1-methylethoxy)- is an organic compound with the formula C11H14O3. Its CAS registry number is 2538-98-9. The IUPAC name of this chemical is 3-Methoxy-4-propan-2-yloxybenzaldehyde. In addition, the molecular weight is 194.23. 

Physical properties about Benzaldehyde,3-methoxy-4-(1-methylethoxy)- are: (1)ACD/LogP: 2.49; (2)#of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 35.53 Å2; (7)Index of Refraction: 1.521; (8)Molar Refractivity: 55.58 cm3; (9)Molar Volume: 182.4 cm3; (10)Polarizability: 22.03×10-24 cm3; (11)Surface Tension: 34.6 dyne/cm; (12)Density: 1.064 g/cm3; (13)Flash Point: 124.8 °C; (14)Enthalpy of Vaporization: 53.77 kJ/mol; (15)Boiling Point: 297.9 °C at 760 mmHg; (16)Vapour Pressure: 0.00131 mmHg at 25 °C.

When you are dealing with this chemical, you should be very careful. This chemical is irritanting to eyes, respiratory system and skin. It may cause inflammation to the skin or other mucous membranes. In addition, in case of contact with eyes, you should be rinse immediately with plenty of water and seek medical advice. You also should wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1) SMILES: O=Cc1cc(OC)c(OC(C)C)cc1
(2) InChI: InChI=1/C11H14O3/c1-8(2)14-10-5-4-9(7-12)6-11(10)13-3/h4-8H,1-3H3
(3) InChIKey: BSVXIKDDVDCMIO-UHFFFAOYAQ