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Name |
4-Diethylaminobenzaldehyde |
EINECS | 204-377-4 |
CAS No. | 120-21-8 | Density | 1.029 g/cm3 |
PSA | 20.31000 | LogP | 2.34530 |
Solubility | insoluble in water | Melting Point |
37-41 °C(lit.) |
Formula | C11H15NO | Boiling Point | 329.6 °C at 760 mmHg |
Molecular Weight | 177.246 | Flash Point | 110.2 °C |
Transport Information | N/A | Appearance | dark brown to green coarse crystals |
Safety | 26-36-61-60-36/37 | Risk Codes | 36/37/38-50/53-21/22 |
Molecular Structure | Hazard Symbols | Xi,Xn | |
Synonyms |
4-Formyl-N,N-diethylaniline;Benzaldehyde,p-(diethylamino)- (6CI,7CI,8CI);4-(Diethylamino)benzaldehyde;4-(N,N-Diethylamino)benzaldehyde;N,N-Diethyl-4-formylaniline;NSC 8782;p-(Diethylamino)benzaldehyde;p-(N,N-Diethylamino)benzaldehyde;p-Formyl-N,N-diethylaniline;Benzaldehyde,4-(diethylamino)-; |
Article Data | 37 |
N,N-dimethyl-formamide
N,N-diethylaniline
4-Diethylaminobenzaldehyde
Conditions | Yield |
---|---|
With trichlorophosphate at 0 - 80℃; for 14h; | 92.1% |
With trichlorophosphate at 80℃; for 24h; | 53% |
With trichlorophosphate Vilsmeier reaction; | |
With trichlorophosphate at 0 - 20℃; |
Conditions | Yield |
---|---|
With Aliquat 336; potassium carbonate In dimethyl sulfoxide at 95℃; for 72h; | 92% |
In dimethyl sulfoxide | |
With Aliquat 336; potassium carbonate In dimethyl sulfoxide |
(4-(diethylamino)phenyl)methanol
4-Diethylaminobenzaldehyde
Conditions | Yield |
---|---|
With periodic acid In water at 27℃; for 8h; | 91% |
bis-(4-diethylamino-phenyl)-mercury
N,N-dimethyl-formamide
4-Diethylaminobenzaldehyde
Conditions | Yield |
---|---|
With trichlorophosphate In water at 70℃; for 1h; | 85% |
C11H16BrN
4-Diethylaminobenzaldehyde
Conditions | Yield |
---|---|
With potassium hydrogencarbonate; dimethyl sulfoxide for 0.0666667h; Microwave irradiation; | 84% |
Conditions | Yield |
---|---|
With titanium tetrachloride In dichloromethane at 0 - 25℃; for 5.5h; | 75% |
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: concentrated hydrochloric acid 2: glacial acetic acid; formaldehyde View Scheme | |
Multi-step reaction with 2 steps 1: ZnCl2 / 40 °C 2: alcoholic potash View Scheme |
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: potassium carbonate; sodium stearate; tetrabutylammomium bromide / water; ethanol / 100 °C 2: trichlorophosphate / 0 - 80 °C View Scheme |
N,N-dimethyl-aniline
N,N-dimethyl-formamide
4-Diethylaminobenzaldehyde
Conditions | Yield |
---|---|
Stage #1: N,N-dimethyl-aniline; N,N-dimethyl-formamide With trichlorophosphate at 0 - 80℃; Vilsmeier-Haack Formylation; Stage #2: With sodium carbonate Vilsmeier-Haack Formylation; |
1. Introduction of 4-Diethylaminobenzaldehyde
4-Diethylaminobenzaldehyde is an organic compound with the formula C11H15NO. The IUPAC name of this chemical is 4-(diethylamino)benzaldehyde. With the CAS registry number 120-21-8, it is also named as p-(Diethylamino)benzaldehyde. The product's categories are Aromatic Aldehydes & Derivatives (substituted); Electronic; Aldehydes; Carbonyl Compounds. Besides, it should be stored in a cool and dry place.
2. Properties of 4-Diethylaminobenzaldehyde
(1)ACD/LogP: 2.87; (2)ACD/LogD (pH 5.5): 2.87; (3)ACD/LogD (pH 7.4): 2.87; (4)ACD/BCF (pH 5.5): 89.15; (5)ACD/BCF (pH 7.4): 89.79; (6)ACD/KOC (pH 5.5): 864.21; (7)ACD/KOC (pH 7.4): 870.38; (8)#H bond acceptors: 2 ; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 20.31 Å2; (11)Index of Refraction: 1.571; (12)Molar Refractivity: 56.58 cm3; (13)Molar Volume: 172.1 cm3; (14)Polarizability: 22.43×10-24cm3; (15)Surface Tension: 40.4 dyne/cm; (16)Density: 1.029 g/cm3; (17)Flash Point: 110.2 °C; (18)Enthalpy of Vaporization: 57.21 kJ/mol; (19)Boiling Point: 329.6 °C at 760 mmHg; (20)Vapour Pressure: 0.000176 mmHg at 25°C.
3. Structure Descriptors of 4-Diethylaminobenzaldehyde
(1)SMILES: O=Cc1ccc(N(CC)CC)cc1
(2)InChI: InChI=1/C11H15NO/c1-3-12(4-2)11-7-5-10(9-13)6-8-11/h5-9H,3-4H2,1-2H3
(3)InChIKey: MNFZZNNFORDXSV-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C11H15NO/c1-3-12(4-2)11-7-5-10(9-13)6-8-11/h5-9H,3-4H2,1-2H3
(5)Std. InChIKey: MNFZZNNFORDXSV-UHFFFAOYSA-N
4. Toxicity of 4-Diethylaminobenzaldehyde
It is harmful in contact with skin and if swallowed and very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, this chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing and gloves. This material and its container must be disposed of as hazardous waste.
5. Safety Information of 4-Diethylaminobenzaldehyde
Hazard Symbols:Xi;Xn
Risk Codes:
R36/37/38:Irritating to eyes, respiratory system and skin.
R50/53:Very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment.
R21/22:Harmful in contact with skin and if swallowed.
Safety Description:
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.
S61:Avoid release to the environment. Refer to special instructions / safety data sheets.
S60:This material and its container must be disposed of as hazardous waste.
S36/37:Wear suitable protective clothing and gloves.
6. Preparation of 4-Diethylaminobenzaldehyde
4-Diethylaminobenzaldehyde can be prepared by N,N-dimethyl-formamide and bis-(4-diethylamino-phenyl)-mercury. This reaction will need reagent POCl3 and solvent H2O. The reaction time is 60 min with reaction temperature of 70 °C. The yield is about 85%.
7. Use of 4-Diethylaminobenzaldehyde
4-Diethylaminobenzaldehyde can be used to produce 5-(4-diethylamino-benzylidene)-selenazolidine-2,4-dione. It will need reagent 25 percent Aq. methylamine and solvent acetic acid. The yield is about 74%.