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CAS No.: | 3148-73-0 |
---|---|
Name: | Diacetyl hydrazine |
Article Data: | 28 |
Molecular Structure: | |
Formula: | C4H8N2O2 |
Molecular Weight: | 116.12 |
Synonyms: | 1,2-Diacetyl hydrazine;Hydrazine,1,2-diacetyl- (6CI,7CI,8CI);1,2-Diacetylhydrazine;N,N'-Diacetylhydrazine;NSC42939; |
EINECS: | 221-576-1 |
Density: | 1.091g/cm3 |
Melting Point: | 138-140 °C(lit.) |
Boiling Point: | 349.9 °C at 760 mmHg |
Flash Point: | 183.3 °C |
Solubility: | Soluble in water |
Appearance: | white crystalline powder |
Hazard Symbols: | Xi |
Risk Codes: | 20/21/22-36/37/38 |
Safety: | 26-36-37/39 |
PSA: | 58.20000 |
LogP: | -0.04460 |
Conditions | Yield |
---|---|
With pyridine; aluminum oxide; hydrazine at 131 - 133℃; for 5h; microwave irradiation; | 100% |
With hydrazine hydrate | |
With hydrazine hydrate |
Conditions | Yield |
---|---|
In ethanol; water; ethyl acetate at 40 - 45℃; for 4h; | 98% |
Conditions | Yield |
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Amano PS Lipase at 25℃; for 48h; | 78% |
acetic anhydride
N-(2-acetylamino)phenylglyoxylyl-N'-acetylhydrazine
A
1-acetyl-1H-indole-2,3-dione
B
Diacetylhydrazin
Conditions | Yield |
---|---|
In benzene for 5h; Heating; | A 63% B 36% |
Conditions | Yield |
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With pyridine; hydrazine hydrate In tetrahydrofuran at 0℃; | 34% |
Conditions | Yield |
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With hydrazinium sulfate at 100℃; Behandeln des Produktes mit Essigsaeureanhydrid; |
Conditions | Yield |
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at 200℃; |
Conditions | Yield |
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With hydrazine hydrate |
Conditions | Yield |
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With pyridine; chloroform |
Conditions | Yield |
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With benzene |
The Diacetyl hydrazine, with CAS registry number 3148-73-0, belongs to the following product categories: (1)Aromatic Hydrazides, Hydrazines, Hydrazones and Oximes; (2)Carbonyl Compounds; (3)Hydrazides; (4)Organic Building Blocks. It has the systematic name of N'-acetylacetohydrazide. This chemical is a kind of white crystalline powder. And the chemical formula of this chemical is C4H8N2O2. What's more, its EINECS is 221-576-1.
Physical properties of Diacetyl hydrazine: (1)ACD/LogP: -1.29; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.29; (4)ACD/LogD (pH 7.4): -1.29; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 4.72; (8)ACD/KOC (pH 7.4): 4.72; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 40.62 Å2; (13)Index of Refraction: 1.436; (14)Molar Refractivity: 27.82 cm3; (15)Molar Volume: 106.4 cm3; (16)Polarizability: 11.03×10-24cm3; (17)Surface Tension: 34.1 dyne/cm; (18)Density: 1.091 g/cm3; (19)Flash Point: 183.3 °C; (20)Enthalpy of Vaporization: 59.44 kJ/mol; (21)Boiling Point: 349.9 °C at 760 mmHg; (22)Vapour Pressure: 4.56E-05 mmHg at 25°C.
Preparation: this chemical can be prepared by acetic acid ethyl ester and acetic acid hydrazide. This reaction will need catalyst Amano PS lipase. The reaction time is 2 day(s) with reaction temperature of 25℃. The yield is about 78%.
Uses of Diacetyl hydrazine: it can be used to produce 2,5-dimethyl-[1,3,4]oxadiazole. This reaction will need reagent Ac2O.
When you are using this chemical, please be cautious about it as the following:
The Diacetyl hydrazine irritates to eyes, respiratory system and skin. And it is harmful by inhalation, in contact with skin and if swallowed. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(NNC(=O)C)C
(2)InChI: InChI=1/C4H8N2O2/c1-3(7)5-6-4(2)8/h1-2H3,(H,5,7)(H,6,8)
(3)InChIKey: ZLHNYIHIHQEHJQ-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C4H8N2O2/c1-3(7)5-6-4(2)8/h1-2H3,(H,5,7)(H,6,8)
(5)Std. InChIKey: ZLHNYIHIHQEHJQ-UHFFFAOYSA-N