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Cas Database |
| Name |
Benzaldehyde,4-(dimethylamino)-2-hydroxy- |
EINECS | N/A |
| CAS No. | 41602-56-6 | Density | 1.201 g/cm3 |
| PSA | 40.54000 | LogP | 1.27070 |
| Solubility | N/A | Melting Point |
78-78 °C |
| Formula | C9H11NO2 | Boiling Point | 301.111 °C at 760 mmHg |
| Molecular Weight | 165.192 | Flash Point | 135.908 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Salicylaldehyde,4-(dimethylamino)- (6CI,7CI);2-Hydroxy-4-(dimethylamino)benzaldehyde;4-(Dimethylamino)-2-hydroxybenzaldehyde;4-(Dimethylamino)salicylaldehyde;4-(N,N-Dimethylamino)-2-hydroxybenzaldehyde;4-N,N-Dimethylaminosalicylaldehyde;p-(Dimethylamino)salicylaldehyde; |
Article Data | 33 |
Benzaldehyde,4-(dimethylamino)-2-hydroxy- Synthetic route
- 68-12-2, 33513-42-7
N,N-dimethyl-formamide
- 99-07-0
3-Dimethylaminophenol
- 41602-56-6
4-dimethylamino-2-hydroxy-benzaldehyde
| Conditions | Yield |
|---|---|
| Stage #1: N,N-dimethyl-formamide With trichlorophosphate for 0.0833333h; Stage #2: 3-Dimethylaminophenol at 20 - 70℃; for 2h; | 100% |
| With methanesulfonyl chloride at 20 - 100℃; for 1h; | 90.9% |
| Stage #1: N,N-dimethyl-formamide With trichlorophosphate at 20℃; Inert atmosphere; Stage #2: 3-Dimethylaminophenol at 20 - 90℃; Vilsmeier-Haack reaction; Inert atmosphere; Stage #3: With water | 70% |
- 58343-05-8
5-dimethylamino-2-(1,3-diphenyl-imidazolidin-2-yl)-phenol
- 41602-56-6
4-dimethylamino-2-hydroxy-benzaldehyde
| Conditions | Yield |
|---|---|
| With hydrogenchloride; water at 25℃; for 2h; | 90% |
- 122-51-0
orthoformic acid triethyl ester
- 99-07-0
3-Dimethylaminophenol
- 41602-56-6
4-dimethylamino-2-hydroxy-benzaldehyde
| Conditions | Yield |
|---|---|
| With aluminium trichloride In chloroform for 0.166667h; Ambient temperature; | 65% |
- 63907-38-0
3-<<(diethylamino)carbonyl>oxy>-N,N-dimethylaniline
- 68-12-2, 33513-42-7
N,N-dimethyl-formamide
A
- 41602-56-6
4-dimethylamino-2-hydroxy-benzaldehyde
B
- 96649-22-8
5-(dimethylamino)-2-formylphenyl diethylcarbamate
| Conditions | Yield |
|---|---|
| With N,N,N,N,-tetramethylethylenediamine; sec.-butyllithium 1.) cyclohexane, THF, -78 deg C, 1 h, 2.) a) -78 deg C, 4 h, b) from -78 deg C to RT, 2 h, c) RT, 0.5 h; Yield given. Multistep reaction. Yields of byproduct given; |
- 24589-97-7
2-Benzoyloxy-4-(N,N-dimethylamino)-benzaldehyd
- 41602-56-6
4-dimethylamino-2-hydroxy-benzaldehyde
| Conditions | Yield |
|---|---|
| (alkaline hydrolysis); |
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: 1.) sodium hydride / 1.) diethyl ether, DMF, 15 min, 2.) RT, 1.5 h 2: 1.) sec-BuLi, TMEDA / 1.) cyclohexane, THF, -78 deg C, 1 h, 2.) a) -78 deg C, 4 h, b) from -78 deg C to RT, 2 h, c) RT, 0.5 h View Scheme |
- 157279-47-5
3-(dimethylamino)phenyl benzoate
- 41602-56-6
4-dimethylamino-2-hydroxy-benzaldehyde
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: (formylation) 2: (alkaline hydrolysis) View Scheme |
- 3724-43-4, 149409-22-3
Vilsmeier reagent
- 99-07-0
3-Dimethylaminophenol
- 41602-56-6
4-dimethylamino-2-hydroxy-benzaldehyde
| Conditions | Yield |
|---|---|
| In N,N-dimethyl-formamide at 60 - 70℃; for 1h; |
- 99-07-0
3-Dimethylaminophenol
- 41602-56-6
4-dimethylamino-2-hydroxy-benzaldehyde
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: chlorobenzene / 6 h / 100 °C / Inert atmosphere 2: hydrogenchloride; water / 2 h / 25 °C View Scheme |
Benzaldehyde,4-(dimethylamino)-2-hydroxy- Specification
The Benzaldehyde,4-(dimethylamino)-2-hydroxy-, with the CAS registry number 41602-56-6, is also known as 4-(Dimethylamino)salicylaldehyde. This chemical's molecular formula is C9H11NO2 and molecular weight is 165.1891. Its systematic name is called 4-(dimethylamino)-2-hydroxybenzaldehyde.
Physical properties of Benzaldehyde,4-(dimethylamino)-2-hydroxy-: (1)ACD/LogP: 1.76; (2)ACD/LogD (pH 5.5): 2; (3)ACD/LogD (pH 7.4): 2; (4)ACD/BCF (pH 5.5): 12; (5)ACD/BCF (pH 7.4): 10; (6)ACD/KOC (pH 5.5): 212; (7)ACD/KOC (pH 7.4): 176; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Index of Refraction: 1.634; (12)Molar Refractivity: 49.201 cm3; (13)Molar Volume: 137.52 cm3; (14)Surface Tension: 52.045 dyne/cm; (15)Density: 1.201 g/cm3; (16)Flash Point: 135.908 °C; (17)Enthalpy of Vaporization: 56.287 kJ/mol; (18)Boiling Point: 301.111 °C at 760 mmHg; (19)Vapour Pressure: 0.001 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=Cc1ccc(cc1O)N(C)C
(2)InChI: InChI=1/C9H11NO2/c1-10(2)8-4-3-7(6-11)9(12)5-8/h3-6,12H,1-2H3
(3)InChIKey: KURCTZNCAHYQOV-UHFFFAOYAH
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