| Identification | More | [Name]
4-N-PROPOXYBENZALDEHYDE | [CAS]
5736-85-6 | [Synonyms]
4-N-PROPOXYBENZALDEHYDE
4-N-PROPYLOXYBENZALDEHYDE
4-PROPOXYBENZALDEHYDE
AKOS BBS-00003252
ASISCHEM V31873
OTAVA-BB BB7020401736
P-PROPOXYBENZALDEHYDE
TIMTEC-BB SBB008225
4-propoxy-benzaldehyd
Benzaldehyde, 4-propoxy-
Benzaldehyde, p-propoxy-
p-(n-propoxy)benzaldehyde
p-n-Propoxybenzaldehyde
p-propoxy-benzaldehyd
Propoxybenzaldehyde
4-Propyloxybenzaldehyde | [Molecular Formula]
C10H12O2 | [MDL Number]
MFCD00014134 | [Molecular Weight]
164.2 | [MOL File]
5736-85-6.mol |
| Chemical Properties | Back Directory | [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 | [color ]
Colorless to Light orange to Yellow | [Specific Gravity]
1.06 | [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) |
| Safety Data | Back Directory | [Hazard Codes ]
Xn,Xi | [Risk Statements ]
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S27:Take off immediately all contaminated clothing .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection . | [WGK Germany ]
3
| [RTECS ]
CU7700000
| [TSCA ]
T | [HazardClass ]
IRRITANT | [HS Code ]
29124990 |
| Hazard Information | Back Directory | [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 |
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