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CAS No.: | 927-63-9 |
---|---|
Name: | 3-Dimethylaminoacrolein |
Article Data: | 25 |
Molecular Structure: | |
Formula: | C5H9NO |
Molecular Weight: | 99.1326 |
Synonyms: | 3-(Dimethylamino)-2-propenal;Acrolein,3-(dimethylamino)- (6CI,7CI,8CI);3-(Dimethylamino)acrylaldehyde;3-(Dimethylamino)propenal;4-Dimethylamino-2-propen-1-al;β-(Dimethylamino)acrolein;(2E)-3-(dimethylamino)prop-2-enal;2-Propenal, 3-(dimethylamino)-;3-(Dimethylamino)-2-propenal; |
EINECS: | 213-157-7 |
Density: | 0.907 /cm3 |
Boiling Point: | 271.5 °C at 760 mmHg |
Flash Point: | 128.9 °C |
Hazard Symbols: | C |
Risk Codes: | 34 |
Safety: | 26-36/37/39-45 |
Transport Information: | UN 3267 8/PG 2 |
PSA: | 20.31000 |
LogP: | 0.26060 |
N-(4-Nitrophenyl)acetamide
N,N-dimethyl-formamide
A
N1,N1-dimethyl-N2-(4-nitro-phenyl)-formamidine
B
(E)-3-Dimethylamino-2-formyl-N-(4-nitro-phenyl)-acrylamide
C
4-nitro-aniline
D
3-dimethylaminoacrolein
Conditions | Yield |
---|---|
With trichlorophosphate at 75℃; for 1.5h; | A 45% B 53% C 5% D 0.05 g |
cycloactanone
acetal-aminal of β-dimethylaminoacrolein
A
2-[(E)-3-Dimethylamino-prop-2-en-(Z)-ylidene]-cyclooctanone
B
3-dimethylaminoacrolein
Conditions | Yield |
---|---|
With silica gel 1,) 80 deg C to 90 deg C, 1.5 h, 2.) CHCl3, 1 h; | A 49% B n/a |
Conditions | Yield |
---|---|
With methanol |
diethyl acetal
phosgene
1,2-dichloro-ethane
N,N-dimethyl-formamide
A
3-dimethylaminopropyl-2-ene-1-imino-N,N-dimethylammonium chloride
B
3-dimethylaminoacrolein
Conditions | Yield |
---|---|
beim Behandeln des Reaktionsgemisches mit Eis sowie anschliessend mit wss. Kaliumcarbonat-Loesung; |
Conditions | Yield |
---|---|
With 1,2-dichloro-ethane und Behandeln des Reaktionsgemisches mit Acetaldehyd-diaethylacetal; |
Conditions | Yield |
---|---|
at 28℃; Product distribution; other temperature; |
3-dimethyl-amino-1,1,3-trimethoxypropane
cyclotetradecanone
A
2-[(E)-3-Dimethylamino-prop-2-en-(Z)-ylidene]-cyclotetradecanone
B
3-dimethylaminoacrolein
Conditions | Yield |
---|---|
at 95 - 100℃; for 4h; | A 0.12 g B n/a |
3-dimethylaminoacrolein
Conditions | Yield |
---|---|
With acetic anhydride at 120 - 125℃; for 0.5h; | 100% |
Conditions | Yield |
---|---|
With potassium hydrogencarbonate at 60℃; for 0.5h; Reagent/catalyst; Temperature; Microwave irradiation; Green chemistry; | 97.2% |
With tetra(n-butyl)ammonium hydroxide In water at 90℃; for 2h; Reagent/catalyst; Temperature; | 97.1% |
With triethylamine at 120℃; Sonication; | 96.7% |
With N-butyl-N-ethylpiperidinium bromide at 55℃; for 1h; Microwave irradiation; | 95.6% |
With trimethyldodecylammonium chloride In dichloromethane; water at 95℃; |
3-dimethylaminoacrolein
Conditions | Yield |
---|---|
Stage #1: 1,2-bis(2,2'-bipyrrol-5-yl)benzene; 3-dimethylaminoacrolein With trichlorophosphate In dichloromethane at 0℃; for 1h; Vilsmeier-Haack Formylation; Stage #2: With potassium hydroxide In tetrahydrofuran; water at 20℃; for 1h; | 97% |
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The 3-Dimethylaminoacrolein, with the CAS registry number 927-63-9 and EINECS registry number 213-157-7, has the IUPAC name of (E)-3-(dimethylamino)prop-2-enal. It belongs to the following product categories: C1 to C6; Aldehydes; Carbonyl Compounds. And the molecular formula of the chemical is C5H9NO. What's more, it should be stored at 2-8°C.
The physical properties of 3-Dimethylaminoacrolein are as followings: (1)ACD/LogP: 0.41; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.07; (4)ACD/LogD (pH 7.4): 0.4; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1.18; (7)ACD/KOC (pH 5.5): 13.21; (8)ACD/KOC (pH 7.4): 38.94; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 20.31 Å2; (13)Index of Refraction: 1.446; (14)Molar Refractivity: 29.17 cm3; (15)Molar Volume: 109.2 cm3; (16)Polarizability: 11.56×10-24cm3; (17)Surface Tension: 28.6 dyne/cm; (18)Density: 0.907 g/cm3; (19)Flash Point: 128.9 °C; (20)nthalpy of Vaporization: 50.97 kJ/mol; (21)Boiling Point: 271.5 °C at 760 mmHg; (22)Vapour Pressure: 0.00643 mmHg at 25°C.
Uses of 3-Dimethylaminoacrolein: It can react with 2-hydroxymethyl-phenol to produce 4H-chromene-3-carbaldehyde. This reaction will need reagent acetic anhydride, and the menstruum acetic acid. The reaction time is 2 hours with heating, and the yield is about 40%.
You should be cautious while dealing with this chemical. It may cause burns. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection; In case of contact with eyes, rinse immediately with plenty of water and seek medical advice; In case of accident or if you feel unwell, seek medical advice immediately (show label where possible).
You can still convert the following datas into molecular structure:
(1)SMILES: O=C\C=C\N(C)C
(2)InChI: InChI=1/C5H9NO/c1-6(2)4-3-5-7/h3-5H,1-2H3/b4-3+
(3)InChIKey: RRLMPLDPCKRASL-ONEGZZNKBT