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Cas Database |
| Name |
Benzaldehyde,2-(1-methylethoxy)- |
EINECS | N/A |
| CAS No. | 22921-58-0 | Density | 1.036 g/cm3 |
| PSA | 26.30000 | LogP | 2.28630 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C10H12O2 | Boiling Point | 257.3 °C at 760 mmHg |
| Molecular Weight | 164.204 | Flash Point | 107.9 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
2-(Methylethoxy)benzaldehyde; |
Article Data | 30 |
Benzaldehyde,2-(1-methylethoxy)- Synthetic route
| Conditions | Yield |
|---|---|
| With potassium carbonate In N,N-dimethyl-formamide at 20℃; for 20h; Inert atmosphere; | 98% |
| With potassium carbonate In N,N-dimethyl-formamide for 48h; Ambient temperature; | 96% |
| With potassium carbonate; sodium iodide In N,N-dimethyl-formamide at 60℃; | 95% |
| Conditions | Yield |
|---|---|
| With potassium carbonate | 95% |
| With potassium carbonate In N,N-dimethyl-formamide at 20 - 60℃; for 16h; Inert atmosphere; Sealed vial; | 88% |
| With potassium carbonate; caesium carbonate In acetonitrile at 50℃; for 24h; | 85% |
- 701-07-5
1-bromo-2-isopropoxybenzene
- 22921-58-0
2-isopropoxybenzaldehyde
| Conditions | Yield |
|---|---|
| 70% |
| Conditions | Yield |
|---|---|
| With potassium carbonate In N,N-dimethyl-formamide at 110℃; for 2h; |
- 613-69-4
2-ethoxylbenzaldehyde
- 22921-58-0
2-isopropoxybenzaldehyde
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1: 87 percent / pyridine / ethanol / 1 h / Heating 2: 15 percent / 650 °C / 0.03 Torr 3: 27 percent / K2CO3 / dimethylformamide / 21 h / 20 °C View Scheme |
- 107369-63-1
2-methoxybenzaldehyde O-methyloxime
- 22921-58-0
2-isopropoxybenzaldehyde
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: 24 percent / 650 °C / 0.03 Torr 2: 27 percent / K2CO3 / dimethylformamide / 21 h / 20 °C View Scheme |
- 135-02-4
ortho-anisaldehyde
- 22921-58-0
2-isopropoxybenzaldehyde
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1: 81 percent / pyridine / ethanol / 1 h / Heating 2: 24 percent / 650 °C / 0.03 Torr 3: 27 percent / K2CO3 / dimethylformamide / 21 h / 20 °C View Scheme |
- 403705-98-6
2-ethoxybenzaldehyde O-methyloxime
- 22921-58-0
2-isopropoxybenzaldehyde
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: 15 percent / 650 °C / 0.03 Torr 2: 27 percent / K2CO3 / dimethylformamide / 21 h / 20 °C View Scheme |
- 1826-67-1
vinyl magnesium bromide
- 22921-58-0
2-isopropoxybenzaldehyde
| Conditions | Yield |
|---|---|
| In tetrahydrofuran | 100% |
- 623-33-6
glycine ethyl ester hydrochloride
- 22921-58-0
2-isopropoxybenzaldehyde
| Conditions | Yield |
|---|---|
| Stage #1: glycine ethyl ester hydrochloride With magnesium sulfate; triethylamine In dichloromethane at 20℃; for 0.0833333h; Stage #2: 2-isopropoxybenzaldehyde In dichloromethane | 96% |
| Stage #1: glycine ethyl ester hydrochloride With magnesium sulfate; triethylamine In dichloromethane at 20℃; for 0.0833333h; Stage #2: 2-isopropoxybenzaldehyde In dichloromethane at 20℃; for 16h; | 96% |
Benzaldehyde,2-(1-methylethoxy)- Specification
The Benzaldehyde,2-(1-methylethoxy)-, with the CAS registry number of 22921-58-0, is also known as 2-(Methylethoxy)benzaldehyde. This chemical's molecular formula is C10H12O2 and molecular weight is 164.21. What's more, its IUPAC name is 2-Propan-2-yloxybenzaldehyde.
Physical properties about the Benzaldehyde,2-(1-methylethoxy)- are: (1)ACD/LogP: 2.59; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 26.3 Å2; (7)Index of Refraction: 1.529; (8)Molar Refractivity: 48.9 cm3; (9)Molar Volume: 158.4 cm3; (10)Surface Tension: 35.1 dyne/cm; (11)Density: 1.036 g/cm3; (12)Flash Point: 107.9 °C; (13)Enthalpy of Vaporization: 49.49 kJ/mol; (14)Boiling Point: 257.3 °C at 760 mmHg; (15)Vapour Pressure: 0.0146 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=Cc1ccccc1OC(C)C
(2) InChI: InChI=1/C10H12O2/c1-8(2)12-10-6-4-3-5-9(10)7-11/h3-8H,1-2H3
(3) InChIKey: ZZJVNPRHHLLANO-UHFFFAOYAX
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