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Cas Database |
| Name |
4-(Difluoromethoxy)-3-(cyclopropylmethoxy)benzaldehyde |
EINECS | 1312995-182-4 |
| CAS No. | 151103-09-2 | Density | 1.277 g/cm3 |
| PSA | 35.53000 | LogP | 2.88930 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C12H12F2O3 | Boiling Point | 331.3 °C at 760 mmHg |
| Molecular Weight | 242.222 | Flash Point | 149.1 °C |
| Transport Information | N/A | Appearance | Light yellow powder |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
3-Cyclopropylmethoxy-4-difluoromethoxybenzaldehyde; |
Article Data | 21 |
4-(Difluoromethoxy)-3-(cyclopropylmethoxy)benzaldehyde Synthetic route
- 7051-34-5
cyclopropylcarbinyl bromide
- 151103-08-1
4-difluoromethoxy-3-hydroxybenzaldehyde
- 151103-09-2
3-(cyclopropylmethoxy)-4-(difluoromethoxy)-benzaldehyde
| Conditions | Yield |
|---|---|
| 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
- 151103-09-2
3-(cyclopropylmethoxy)-4-(difluoromethoxy)-benzaldehyde
| Conditions | Yield |
|---|---|
| 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 | Yield |
|---|---|
| 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 | Yield |
|---|---|
| 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 | Yield |
|---|---|
| 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 | Yield |
|---|---|
| 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 | Yield |
|---|---|
| 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 | Yield |
|---|---|
| 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 | Yield |
|---|---|
| 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 | Yield |
|---|---|
| With titanium(IV) tetraethanolate In tetrahydrofuran at 20℃; for 12h; | 99.8% |
4-(Difluoromethoxy)-3-(cyclopropylmethoxy)benzaldehyde 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
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