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CAS No.: | 4433-79-8 |
---|---|
Name: | 4'-Chloro-2',5'-dimethoxyacetoacetanilide |
Article Data: | 6 |
Molecular Structure: | |
Formula: | C12H14ClNO4 |
Molecular Weight: | 271.7 |
Synonyms: | 2',5'-Dimethoxy-4'-chloro-acetoacetanilide;C.I. 37613;C.I. Azoic Coupling Component No. 44;Naphthol AS-IRG; |
EINECS: | 224-638-6 |
Density: | 1.277 g/cm3 |
Melting Point: | 102-104 °C |
Boiling Point: | 432.7 °C at 760 mmHg |
Flash Point: | 215.5 °C |
Appearance: | off-white powder |
Hazard Symbols: | Xi |
Risk Codes: | R10; R36/37/38 |
PSA: | 64.63000 |
LogP: | 2.34780 |
4-methyleneoxetan-2-one
4-chloro-2,5-dimethoxy-aniline
1-acetoacetylamino-4-chloro-2,5-dimethoxy-benzene
Conditions | Yield |
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In ethanol at 30 - 60℃; for 6h; Temperature; | 98.6% |
sodium aceto-acetate
4-chloro-2,5-dimethoxy-aniline
1-acetoacetylamino-4-chloro-2,5-dimethoxy-benzene
Conditions | Yield |
---|---|
In chlorobenzene for 6h; | 92% |
ethyl acetoacetate
4-chloro-2,5-dimethoxy-aniline
1-acetoacetylamino-4-chloro-2,5-dimethoxy-benzene
Conditions | Yield |
---|---|
With potassium tert-butylate at 120℃; for 2h; Microwave irradiation; |
acetylketene
4-chloro-2,5-dimethoxy-aniline
1-acetoacetylamino-4-chloro-2,5-dimethoxy-benzene
Conditions | Yield |
---|---|
at 25℃; for 2h; Temperature; |
1-acetoacetylamino-4-chloro-2,5-dimethoxy-benzene
Conditions | Yield |
---|---|
With ammonia; hydrogen In tetrahydrofuran at 120℃; for 24h; | 85% |
[bis(acetoxy)iodo]benzene
1-acetoacetylamino-4-chloro-2,5-dimethoxy-benzene
1-(4-chloro-2,5-dimethoxyphenylcarbamoyl)-2-oxopropyl acetate
Conditions | Yield |
---|---|
In 1,2-dichloro-ethane at 20℃; for 2h; | 80% |
1-acetoacetylamino-4-chloro-2,5-dimethoxy-benzene
2,2-dichloro-N-(4-chloro-2,5-dimethoxyphenyl)acetamide
Conditions | Yield |
---|---|
With [bis(acetoxy)iodo]benzene; zinc(II) chloride In 1,4-dioxane at 20℃; for 1h; | 80% |
With iodine trichloride In 1,2-dichloro-ethane at 20℃; for 3h; Schlenk technique; | 69% |
1-acetoacetylamino-4-chloro-2,5-dimethoxy-benzene
2-(4-chloro-2,5-dimethoxyphenyl)-5-methylisoxazole-3(2H)-one
Conditions | Yield |
---|---|
With [bis(acetoxy)iodo]benzene; zinc(II) oxide In 1,4-dioxane at 100℃; for 5h; Schlenk technique; | 79% |
Conditions | Yield |
---|---|
With sodium acetate In water pH=4.5 - 6.5; |
1-acetoacetylamino-4-chloro-2,5-dimethoxy-benzene
Conditions | Yield |
---|---|
With sodium hydroxide; sodium acetate at 0℃; pH=5 - 6; |
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This chemical is called Butanamide, N-(4-chloro-2,5-dimethoxyphenyl)-3-oxo-, and its CAS registry number is 4433-79-8. With the molecular formula of C12H14ClNO4, its product categories are Intermediates of Dyes and Pigments; Aromatic amine products. In addition, this chemical should be sealed in the cool and dry place. It is used as intermediate for the manufacture of organic pigments.
ther characteristics of the Butanamide, N-(4-chloro-2,5-dimethoxyphenyl)-3-oxo- can be summarised as followings: (1)ACD/LogP: 2.11; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.11; (4)ACD/LogD (pH 7.4): 2.11; (5)ACD/BCF (pH 5.5): 23.8; (6)ACD/BCF (pH 7.4): 23.4; (7)ACD/KOC (pH 5.5): 336.43; (8)ACD/KOC (pH 7.4): 330.77; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 55.84 Å2; (13)Index of Refraction: 1.553; (14)Molar Refractivity: 68.07 cm3; (15)Molar Volume: 212.6 cm3; (16)Polarizability: 26.98×10-24cm3; (17)Surface Tension: 43.1 dyne/cm; (18)Density: 1.277 g/cm3; (19)Flash Point: 215.5 °C; (20)Enthalpy of Vaporization: 68.85 kJ/mol; (21)Boiling Point: 432.7 °C at 760 mmHg; (22)Vapour Pressure: 1.09E-07 mmHg at 25°C.
Uses of this chemical: The 1-(4-chloro-2,5-dimethoxy-phenyl)-2,6-dimethyl-4-oxo-1,4-dihydro-pyridine-3-carboxylic acid (4-chloro-2,5-dimethoxy-phenyl)-amide could be obtained by the reactant of Butanamide, N-(4-chloro-2,5-dimethoxyphenyl)-3-oxo-. This reaction needs the reagent of p-toluenesulfonic acid (ptsa), and the solvent of benzene. The yield is 39 %. This reaction should be taken for 24 hours. The other condition is heating.
You can still convert the following datas into molecular structure:
1.SMILES: Clc1cc(OC)c(cc1OC)NC(=O)CC(=O)C
2.InChI: InChI=1/C12H14ClNO4/c1-7(15)4-12(16)14-9-6-10(17-2)8(13)5-11(9)18-3/h5-6H,4H2,1-3H3,(H,14,16)
3.InChIKey: MOUVJGIRLPZEES-UHFFFAOYAX