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| | 4-n-Propoxybenzaldehyde Basic information |
| | 4-n-Propoxybenzaldehyde Chemical Properties |
| Melting point | 268 °C | | Boiling point | 129-130 °C/10 mmHg (lit.) | | density | 1.039 g/mL at 25 °C (lit.) | | refractive index | n20/D 1.546(lit.) | | Fp | >230 °F | | storage temp. | Keep in dark place,Sealed in dry,Room Temperature | | form | clear liquid | | Specific Gravity | 1.06 | | color | Colorless to Light orange to Yellow | | Sensitive | Air Sensitive | | BRN | 743408 | | InChI | InChI=1S/C10H12O2/c1-2-7-12-10-5-3-9(8-11)4-6-10/h3-6,8H,2,7H2,1H3 | | InChIKey | FGXZWMCBNMMYPL-UHFFFAOYSA-N | | SMILES | C(=O)C1=CC=C(OCCC)C=C1 | | CAS DataBase Reference | 5736-85-6(CAS DataBase Reference) | | EPA Substance Registry System | Benzaldehyde, 4-propoxy- (5736-85-6) |
| Hazard Codes | Xn,Xi | | Risk Statements | 20/21/22-36/37/38 | | Safety Statements | 26-27-36/37/39 | | WGK Germany | 3 | | RTECS | CU7700000 | | TSCA | TSCA listed | | HazardClass | IRRITANT | | HS Code | 29124990 | | Storage Class | 10 - Combustible liquids | | Hazard Classifications | Acute Tox. 4 Dermal
Acute Tox. 4 Inhalation
Acute Tox. 4 Oral
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| | 4-n-Propoxybenzaldehyde Usage And Synthesis |
| Chemical Properties | White liquid | | Uses | 4-Propoxybenzaldehyde was used in the preparation of (2S,4S,5R)-(±)-2-(4-propoxyphenyl)-3,4-dimethyl-5-phenyl-1,3-oxazolidine via condensation with 1-ephedrine. | | General Description | Kinetic constants for the inhibition of the diphenolase activity of mushroom tyrosinase by 4-propoxybenzaldehyde was evaluated. | | Synthesis | Step C: Synthesis of 3-chloro-4-propoxybenzaldehyde: A mixture of 4-hydroxybenzaldehyde (0.5 g, 4.1 mmol), 1-bromopropane (0.3 ml), and K2CO3 (0.69 g, 5 mmol) in anhydrous DMF (5 ml) was stirred and refluxed for 1 hour. After completion of the reaction, it was diluted to 100 ml with EtOAc and washed with H2O. The organic layer was separated, dried with MgSO4 and filtered. The filtrate was evaporated to dryness to give 4-propoxybenzaldehyde (0.55 g, 82.3%) as a yellow oil.1H-NMR (CDCl3) δ: 1.0 (t, 3H, J=7.41Hz); 1.7-2.0 (m, 2H); 3.95 (t, 2H, J=6.57Hz); 6.95 (d, 2H, J=8.73Hz); 8.00 (d, 2H, J=8.76Hz). To a stirred solution of 4-propoxybenzaldehyde (0.5 g, 3.07 mmol) in anhydrous DMF (3 ml) was added N-chlorosuccinimide (NCS, 0.5 g, 3.73 mmol) and the mixture was stirred at room temperature overnight. After completion of the reaction, it was diluted to 100 ml with EtOAc and washed with NaHCO3 solution (100 ml). The organic layer was separated, dried with MgSO4 and filtered. The filtrate was evaporated to dryness to give the crude product 3-chloro-4-propoxybenzaldehyde (0.59 g; 97%) as a light yellow oil.1H-NMR (CDCl3) δ: 9.81 (s, 1H); 7.87 (d, 1H, J=2.01 Hz); 7.71 (dd, 1H, J=2.02-8.47Hz); 6.98 (d, 1H, J= 8.47 Hz); 1.82-1.91 (m, 2H); 4.1 (t, 2H, J=6.3 Hz); 1.1 (t, 3H, J=7.4 Hz). | | References | [1] Chemical Communications, 2013, vol. 49, # 54, p. 6042 - 6044
[2] Macromolecules, 2012, vol. 45, # 17, p. 6840 - 6849,10
[3] Patent: WO2010/42998, 2010, A1. Location in patent: Page/Page column 117; 118
[4] Patent: WO2014/63199, 2014, A1. Location in patent: Page/Page column 69
[5] Molecular Crystals and Liquid Crystals (1969-1991), 1988, vol. 154, p. 267 - 276 |
| | 4-n-Propoxybenzaldehyde Preparation Products And Raw materials |
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