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151103-09-2

Basic Information
CAS No.: 151103-09-2
Name: 4-(DIFLUOROMETHOXY)-3-(CYCLOPROPYLMETHOXY)-BENZALDEHYDE
Article Data: 21
Molecular Structure:
Molecular Structure of 151103-09-2 (4-(DIFLUOROMETHOXY)-3-(CYCLOPROPYLMETHOXY)-BENZALDEHYDE)
Formula: C12H12F2O3
Molecular Weight: 242.222
Synonyms: 3-Cyclopropylmethoxy-4-difluoromethoxybenzaldehyde;
EINECS: 1312995-182-4
Density: 1.277 g/cm3
Boiling Point: 331.3 °C at 760 mmHg
Flash Point: 149.1 °C
Appearance: Light yellow powder
PSA: 35.53000
LogP: 2.88930
Synthetic route
7051-34-5

cyclopropylcarbinyl bromide

151103-08-1

4-difluoromethoxy-3-hydroxybenzaldehyde

151103-09-2

3-(cyclopropylmethoxy)-4-(difluoromethoxy)-benzaldehyde

Conditions
ConditionsYield
Stage #1: 4-difluoromethoxy-3-hydroxybenzaldehyde With potassium carbonate; potassium iodide In dimethyl sulfoxide at 70℃; for 1h;
Stage #2: cyclopropylcarbinyl bromide In dimethyl sulfoxide at 70℃; for 4h;
99%
With trimethylbenzylammonium bromide; potassium carbonate; potassium iodide In tetrahydrofuran at 0℃; Concentration; Reflux;98.5%
With potassium carbonate In tetrahydrofuran at 0℃; for 14h; Heating / reflux;97%
2516-33-8

Cyclopropylmethanol

4-(difluoromethoxy)-3-fluorobenzaldehyde

151103-09-2

3-(cyclopropylmethoxy)-4-(difluoromethoxy)-benzaldehyde

Conditions
ConditionsYield
With potassium tert-butylate In 1,4-dioxane at 70 - 75℃; for 4h; Reagent/catalyst; Solvent; Temperature;96.6%
25934-52-5

3-(cyclopropylmethoxy)-4-hydroxybenzaldehyde

1895-39-2

sodium chlorodifluoroacetate

151103-09-2

3-(cyclopropylmethoxy)-4-(difluoromethoxy)-benzaldehyde

Conditions
ConditionsYield
With sodium hydroxide In N,N-dimethyl-formamide at 120℃; for 2h;84%
139-85-5

3,4-dihydroxybenzaldehyde

151103-09-2

3-(cyclopropylmethoxy)-4-(difluoromethoxy)-benzaldehyde

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: sodium hydroxide / N,N-dimethyl-formamide; water / 2 h / 120 °C
2: potassium carbonate / tetrahydrofuran / 14 h / 0 °C / Reflux
View Scheme
Multi-step reaction with 2 steps
1.1: potassium carbonate / N,N-dimethyl-formamide / 20 - 85 °C
1.2: 8 - 10 h / Inert atmosphere
2.1: 1,8-diazabicyclo[5.4.0]undec-7-ene / tetrahydrofuran / 6 h / 75 - 80 °C
View Scheme
Multi-step reaction with 2 steps
1: sodium hydroxide / N,N-dimethyl-formamide; water / 2 h / 120 °C
2: caesium carbonate / N,N-dimethyl-formamide / 1 h / 65 °C
View Scheme
4049-39-2

4-benzyloxy-3-hydroxy-benzaldehyde

151103-09-2

3-(cyclopropylmethoxy)-4-(difluoromethoxy)-benzaldehyde

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: caesium carbonate / N,N-dimethyl-formamide / 1 h / 65 °C
2: palladium 10% on activated carbon; hydrogen / ethyl acetate / 2 h / 20 °C
3: sodium hydroxide / N,N-dimethyl-formamide / 2 h / 120 °C
View Scheme
1381886-14-1

4-(benzyloxy)-3-(cyclopropylmethoxy)benzaldehyde

151103-09-2

3-(cyclopropylmethoxy)-4-(difluoromethoxy)-benzaldehyde

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: palladium 10% on activated carbon; hydrogen / ethyl acetate / 2 h / 20 °C
2: sodium hydroxide / N,N-dimethyl-formamide / 2 h / 120 °C
View Scheme
121-33-5

vanillin

151103-09-2

3-(cyclopropylmethoxy)-4-(difluoromethoxy)-benzaldehyde

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: sodium hydroxide / N,N-dimethyl-formamide / 2 h / 90 °C
2: lithium chloride / N,N-dimethyl-formamide / Reflux
3: potassium carbonate / tetrahydrofuran / 1 h / 20 °C
View Scheme
162401-70-9

4-(difluoromethoxy)-3-methoxybenzaldehyde

151103-09-2

3-(cyclopropylmethoxy)-4-(difluoromethoxy)-benzaldehyde

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: lithium chloride / N,N-dimethyl-formamide / Reflux
2: potassium carbonate / tetrahydrofuran / 1 h / 20 °C
View Scheme
405-05-0

3-fluoro-4-hydroxybenzaldehyde

151103-09-2

3-(cyclopropylmethoxy)-4-(difluoromethoxy)-benzaldehyde

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: sodium hydroxide / N,N-dimethyl-formamide; water / 2 h / 95 - 100 °C
2: potassium tert-butylate / 1,4-dioxane / 4 h / 70 - 75 °C
View Scheme
196929-78-9

(R)-2-methylpropane-2-sulfinamide

151103-09-2

3-(cyclopropylmethoxy)-4-(difluoromethoxy)-benzaldehyde

1367625-78-2

(R)-2-methyl-2-propanesulfinic acid 3-cyclopropylmethoxy-4-(difluoromethoxy)benzylideneamide

Conditions
ConditionsYield
With titanium(IV) tetraethanolate In tetrahydrofuran at 20℃; for 12h;99.8%
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  • Casno:

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    3-(Cyclopropylmethoxy)-4-(difluoromethoxy)benzaldehyde,cas:151103-09-2 from fandachem

    Min.Order: 0 Metric Ton

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  • 4-(Difluoromethoxy)-3-(cyclopropylmethoxy)-benzaldehyde

  • Casno:

    151103-09-2

    4-(Difluoromethoxy)-3-(cyclopropylmethoxy)-benzaldehyde

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  • Benzaldehyde,3-(cyclopropylmethoxy)-4-(difluoromethoxy)-

  • Casno:

    151103-09-2

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  • SAGECHEM/4-(DifluoroMethoxy)-3-(cyclopropylMethoxy)benzaldehyde/SAGECHEM/Manufacturer in China

  • Casno:

    151103-09-2

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  • 4-(Difluoromethoxy)-3-(cyclopropylmethoxy)-benzaldehyde

  • Casno:

    151103-09-2

    4-(Difluoromethoxy)-3-(cyclopropylmethoxy)-benzaldehyde

    Min.Order: 1 Metric Ton

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  • 4-(Difluoromethoxy)-3-(cyclopropylmethoxy)benzaldehyde

  • Casno:

    151103-09-2

    4-(Difluoromethoxy)-3-(cyclopropylmethoxy)benzaldehyde

    Min.Order: 0

    FOB Price:  USD $ 0.0-0.0

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  • Casno:

    151103-09-2

    4-(DIFLUOROMETHOXY)-3-(CYCLOPROPYLMETHOXY)-BENZALDEHYDE

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  • hight quality 3-(cyclopropylmethoxy)-4-(difluoromethoxy)benzaldehyde

  • Casno:

    151103-09-2

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  • 4-(Difluoromethoxy)-3-(cyclopropylmethoxy)-benzaldehyde

  • Casno:

    151103-09-2

    4-(Difluoromethoxy)-3-(cyclopropylmethoxy)-benzaldehyde

    Min.Order: 1 Metric Ton

    FOB Price:  USD $ 1.0-1.0

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Specification

The 4-(Difluoromethoxy)-3-(cyclopropylmethoxy)benzaldehyde, its cas register number is 151103-09-2. It also can be called as Benzaldehyde,3-(cyclopropylmethoxy)-4-(difluoromethoxy)- and the Systematic name about this chemical is 3-(cyclopropylmethoxy)-4-(difluoromethoxy)benzaldehyde.

Physical properties about 4-(Difluoromethoxy)-3-(cyclopropylmethoxy)benzaldehyde are: (1)ACD/LogP: 2.69; (2)ACD/LogD (pH 7.4): 2.69; (3)ACD/BCF (pH 5.5): 65.2; (4)ACD/BCF (pH 7.4): 65.2; (5)ACD/KOC (pH 5.5): 692.21; (6)ACD/KOC (pH 7.4): 692.21; (7)#H bond acceptors: 3; (8)#H bond donors: 0; (9)#Freely Rotating Bonds: 6; (10)Polar Surface Area: 35.53Å2; (11)Index of Refraction: 1.529; (12)Molar Refractivity: 58.49 cm3; (13)Molar Volume: 189.6 cm3; (14)Polarizability: 23.18x10-24cm3; (15)Surface Tension: 39.2 dyne/cm; (16)Enthalpy of Vaporization: 57.39 kJ/mol; (17)Vapour Pressure: 0.000157 mmHg at 25°C

You can still convert the following datas into molecular structure:
(1)SMILES: c1cc(c(cc1C=O)OCC2CC2)OC(F)F
(2)InChI: InChI=1/C12H12F2O3/c13-12(14)17-10-4-3-9(6-15)5-11(10)16-7-8-1-2-8/h3-6,8,12H,1-2,7H2
(3)InChIKey: AHVVCELVGCPYGI-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C12H12F2O3/c13-12(14)17-10-4-3-9(6-15)5-11(10)16-7-8-1-2-8/h3-6,8,12H,1-2,7H2
(5)Std. InChIKey: AHVVCELVGCPYGI-UHFFFAOYSA-N