Benzaldehyde,3-methoxy-4-(1-methylethoxy)- supplier

Name
4-ISOPROPOXY-3-METHOXY-BENZALDEHYDE
EINECS
CAS No. 2538-98-9
Article Data28
CAS DataBase
Density 1.064 g/cm³
Solubility
Melting Point
Formula C₁₁H₁₄O₃
Boiling Point 297.9 °C at 760mmHg
Molecular Weight 194.23
Flash Point 124.8 °C
Transport Information
Appearance
Safety 26-36/37/38
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms Benzaldehyde,4-isopropoxy-3-methoxy- (6CI,7CI,8CI);3-Methoxy-4-isopropoxybenzaldehyde;4-Isopropoxy-3-methoxybenzaldehyde;
PSA 35.53000
LogP 2.29490

Synthetic route

: 121-33-5
vanillin

: 75-26-3
isopropyl bromide

: 2538-98-9
4-isopropyloxy-3-methoxybenzaldehyde

Conditions

Conditions	Yield
	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%

: 75-26-3
isopropyl bromide

potassium-salt of vanillin: potassium-salt of vanillin

: 2538-98-9
4-isopropyloxy-3-methoxybenzaldehyde

Conditions

Conditions	Yield
With ethanol

: 75-30-9
2-iodo-propane

: 121-33-5
vanillin

: 2538-98-9
4-isopropyloxy-3-methoxybenzaldehyde

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide at 20℃;

: 90-05-1
2-methoxy-phenol

: 2538-98-9
4-isopropyloxy-3-methoxybenzaldehyde

Conditions

Conditions	Yield
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

: 2539-21-1
o-methoxyphenyl i-propyl ether

: 93-61-8
N-methyl-N-phenylformamide

A: 2538-98-9
4-isopropyloxy-3-methoxybenzaldehyde

B: 34123-66-5
O-isopropylisovanillin

Conditions

Conditions	Yield
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

Conditions	Yield
With potassium carbonate In acetone

: 2538-98-9
4-isopropyloxy-3-methoxybenzaldehyde

: 22483-09-6
2,2-dimethoxyethylamine

: (2,2-Dimethoxy-ethyl)-[1-(4-isopropoxy-3-methoxy-phenyl)-meth-(Z)-ylidene]-amine

Conditions

Conditions	Yield
In benzene for 1h; Heating;	100%

: 2538-98-9
4-isopropyloxy-3-methoxybenzaldehyde

: 98799-36-1
3-methoxy-4-isopropoxybenzoxime

Conditions

Conditions	Yield
With hydroxylamine hydrochloride	98%

: 1392322-53-0
1-(4-isopropoxy-2,3,6-trimethoxyphenyl)ethanone

: 2538-98-9
4-isopropyloxy-3-methoxybenzaldehyde

: 1392322-54-1
(E)-1-(4-Isopropoxy-2,3,6-trimethoxyphenyl)-3-(4-isopropoxy-3-methoxyphenyl)prop-2-en-1-one

Conditions

Conditions	Yield
With sodium hydroxide In methanol at 20℃; for 12h; Aldol condensation;	97%

: 867-13-0
diethoxyphosphoryl-acetic acid ethyl ester

: 2538-98-9
4-isopropyloxy-3-methoxybenzaldehyde

: 178611-27-3
ethyl 4-isopropoxy-3-methoxy cinnamate

Conditions

Conditions	Yield
	91%

: 2538-98-9
4-isopropyloxy-3-methoxybenzaldehyde

: 645-36-3
2,2-diethoxy-ethanamine

: isopropoxy-4 methoxy-3 benzyliminoacetaldehyde diethylacetal

Conditions

Conditions	Yield
	90%

: 2538-98-9
4-isopropyloxy-3-methoxybenzaldehyde

: 141-05-9
Diethyl maleate

: (E)-2-(4-isopropoxy-3-methoxybenzylidene)succinic acid

Conditions

Conditions	Yield
Stage #1: 4-isopropyloxy-3-methoxybenzaldehyde; Diethyl maleate With tributylphosphine In toluene for 24h; Reflux; Stage #2: With lithium hydroxide In tetrahydrofuran; water for 16h; pH=10;	89%

: 675-10-5
4-hydroxy-6-methyl-2-pyron

: 2538-98-9
4-isopropyloxy-3-methoxybenzaldehyde

: 109-77-3
malononitrile

: 2-amino-4-(4-isopropoxy-3-methoxy-phenyl)-7-methyl-5-oxo-4H,5H-pyrano[4,3-b]pyran-3-carbonitrile

Conditions

Conditions	Yield
With triethylamine; 3-butyl-1-methyl-1H-imidazol-3-ium hexafluorophosphate at 80 - 90℃; for 0.166667h;	87%

...Expand

: 7664-66-6
4-(isopropoxy)aniline

: 2538-98-9
4-isopropyloxy-3-methoxybenzaldehyde

: (E)-1-(4-isopropoxy-3-methoxyphenyl)-N-(4-isopropoxyphenyl)methanimine

Conditions

Conditions	Yield
With magnesium sulfate In ethanol at 23℃; Inert atmosphere;	87%

: 2538-98-9
4-isopropyloxy-3-methoxybenzaldehyde

: 1131-62-0
1-(3,4-dimethoxyphenyl)ethanone

: (E)-1-(3,4-dimethoxyphenyl)-3-(4-isopropoxy-3-methoxyphenyl)prop-2-en-1-one

Conditions

Conditions	Yield
With potassium hydroxide In ethanol	83%

: 2538-98-9
4-isopropyloxy-3-methoxybenzaldehyde

: 4009-98-7
(methoxymethyl)triphenylphosphonium chloride

: 1261079-18-8
C13H18O3

Conditions

Conditions	Yield
Stage #1: (methoxymethyl)triphenylphosphonium chloride With potassium tert-butylate In tetrahydrofuran at 0℃; for 0.25h; Inert atmosphere; Stage #2: 4-isopropyloxy-3-methoxybenzaldehyde In tetrahydrofuran at 0 - 20℃; for 6h; Wittig reaction; Inert atmosphere;	82%

: 2538-98-9
4-isopropyloxy-3-methoxybenzaldehyde

: 506-59-2
N,N-dimethylammonium chloride

: 1258935-43-1
(4-isopropoxy-3-methoxyphenyl)-N,N-dimethylmethanamine

Conditions

Conditions	Yield
Stage #1: 4-isopropyloxy-3-methoxybenzaldehyde; N,N-dimethylammonium chloride With titanium(IV) isopropylate; triethylamine In ethanol at 30℃; for 16h; Stage #2: With sodium tetrahydroborate In ethanol for 14h;	82%

: 1273-94-5
1,1'-diacetylferrocene

: 2538-98-9
4-isopropyloxy-3-methoxybenzaldehyde

: C36H38FeO6

Conditions

Conditions	Yield
With sodium hydroxide In ethanol at 20 - 23℃; for 24h;	82%

: 2538-98-9
4-isopropyloxy-3-methoxybenzaldehyde

: 74-89-5
methylamine

: 96705-57-6
4-isopropoxy-3-methoxybenzylidenemethylamine

Conditions

Conditions	Yield
In ethanol; water for 6h; Ambient temperature;	80%

: 2538-98-9
4-isopropyloxy-3-methoxybenzaldehyde

: 218903-20-9
Formic acid 4-isopropoxy-3-methoxy-phenyl ester

Conditions

Conditions	Yield
With potassium hydrogencarbonate; 3-chloro-benzenecarboperoxoic acid In dichloromethane for 3h; Ambient temperature;	80%

: 2538-98-9
4-isopropyloxy-3-methoxybenzaldehyde

: 70-55-3
toluene-4-sulfonamide

: N-[1-(4-Isopropoxy-3-methoxy-phenyl)-meth-(E)-ylidene]-4-methyl-benzenesulfonamide

Conditions

Conditions	Yield
With K 10 clay; calcium carbonate; trimethyl orthoformate at 167 - 173℃; for 0.1h; Condensation; Irradiation;	80%

: 696-59-3
cis,trans-2,5-dimethoxytetrahydrofuran

: 2538-98-9
4-isopropyloxy-3-methoxybenzaldehyde

: 2,3-bis-(3-methoxy-4-isopropyloxybenzylidene)succinaldehyde

Conditions

Conditions	Yield
With potassium acetate; acetic acid In water Heating;	80%

: 1580514-51-7
3-[4-(7-chloro-4-quinolyl)piperazin-1-yl]propanehydrazide

: 2538-98-9
4-isopropyloxy-3-methoxybenzaldehyde

: 1580514-75-5
3-[4-(7-chloro-4-quinolyl)piperazin-1-yl]-N-[(E)-(4-isopropoxy-3-methoxyphenyl)methyleneamino]propanamide

Conditions

Conditions	Yield
In ethanol at 20℃; for 12h;	78%

: 2538-98-9
4-isopropyloxy-3-methoxybenzaldehyde

: 56517-33-0
2-bromo-4-isopropoxy-5-methoxybenzaldehyde

Conditions

Conditions	Yield
With bromine In methanol at 0 - 20℃;	76%
With bromine In methanol at 0℃; for 2h;	76%
With bromine; silver nitrate In methanol at 20℃; for 22h; Inert atmosphere;	73%
With bromine; acetic acid

: 2538-98-9
4-isopropyloxy-3-methoxybenzaldehyde

: 141-97-9
ethyl acetoacetate

: 38235-71-1
3-hydrazinobenzoic acid

: 1225468-52-9
(Z)-3-(4-(4-isopropoxy-3-methoxybenzylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid

Conditions

Conditions	Yield
for 0.166667h; Microwave irradiation;	76%
for 0.166667h; Microwave irradiation;	76%

...Expand

: 2538-98-9
4-isopropyloxy-3-methoxybenzaldehyde

: 62-55-5
thioacetamide

: 99661-56-0
(E)-3-(4-Isopropoxy-3-methoxy-phenyl)-thioacrylamide

Conditions

Conditions	Yield
With sodium In ethanol at 0 - 5℃; for 40h;	74%

: 1076-38-6
4-hydroxy[1]benzopyran-2-one

: 2538-98-9
4-isopropyloxy-3-methoxybenzaldehyde

: 109-77-3
malononitrile

: 2-amino-4-(4-isopropoxy-3-methoxy-phenyl)-5-oxo-4H,5H-pyrano[3,2-c]chromene-3-carbonitrile

Conditions

Conditions	Yield
With triethylamine In ethanol for 0.0833333h; Heating;	74%

...Expand

: 2538-98-9
4-isopropyloxy-3-methoxybenzaldehyde

: 98799-36-1
4-isopropoxy-3-methoxybenzaldehyde oxime

Conditions

Conditions	Yield
With pyridine; hydroxylamine hydrochloride In ethanol at 20℃; for 1.5h;	74%
With hydroxylamine; sodium hydroxide In methanol; water for 8h; Reflux;

: 2538-98-9
4-isopropyloxy-3-methoxybenzaldehyde

: C14H20O3

: (E)-1-(3,4-diisopropoxyphenyl)-3-(4-isopropoxy-3-methoxyphenyl)prop-2-en-1-one

Conditions

Conditions	Yield
With potassium hydroxide In ethanol	74%

: 2538-98-9
4-isopropyloxy-3-methoxybenzaldehyde

: 86636-03-5
4-isopropoxy-3-methoxyphenol

Conditions

Conditions	Yield
With formic acid; dihydrogen peroxide at 0 - 5℃; for 3.5h;	73.6%
With 3-chloro-benzenecarboperoxoic acid In dichloromethane at 20℃; for 15h;

: 2538-98-9
4-isopropyloxy-3-methoxybenzaldehyde

: 121-33-5
vanillin

Conditions

Conditions	Yield
With aluminum (III) chloride In dichloromethane at 20℃; for 5h;	68.4%

: 2538-98-9
4-isopropyloxy-3-methoxybenzaldehyde

: 2-((2-(trimethylsilyl)ethyl)sulfonyl)ethan-1-amine

: (E)-N-(4-isopropoxy-3-methoxybenzylidene)-2-(trimethylsilyl)ethane-1-sulfonamide

Conditions

Conditions	Yield
With tetramethylorthosilicate at 110℃; for 4h;	67%

: 2538-98-9
4-isopropyloxy-3-methoxybenzaldehyde

: 98-86-2
acetophenone

: (E)-3-(4-isopropoxy-3-methoxyphenyl)-1-phenylprop-2-en-1-one

Conditions

Conditions	Yield
With potassium hydroxide In ethanol	63%

: 2538-98-9
4-isopropyloxy-3-methoxybenzaldehyde

: 122-00-9
para-methylacetophenone

: C20H22O3

Conditions

Conditions	Yield
With potassium hydroxide In ethanol	63%

: 75-52-5
nitromethane

: 2538-98-9
4-isopropyloxy-3-methoxybenzaldehyde

: 1015426-19-3
(E)-1-isopropoxy-2-methoxy-4-(2-nitrovinyl)benzene

Conditions

Conditions	Yield
With ammonium acetate In acetic acid at 100℃; for 14h;	61%
With ammonium acetate; acetic acid at 20 - 120℃;	49%
With ammonium acetate at 70℃; for 18h;
With ammonium acetate at 70℃; for 18h;
With ammonium acetate In dichloromethane at 70℃; for 18h;

Benzaldehyde,3-methoxy-4-(1-methylethoxy)- 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

Product Name

4-ISOPROPOXY-3-METHOXY-BENZALDEHYDE

Synthetic route

Benzaldehyde,3-methoxy-4-(1-methylethoxy)- Specification

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