ChemicalBook--->CAS DataBase List--->39052-12-5

39052-12-5

39052-12-5 Structure

39052-12-5 Structure
IdentificationBack Directory
[Name]

3,4-Diethoxyaniline
[CAS]

39052-12-5
[Synonyms]

AKOS BBS-00001416
3,4-DIETHOXYANILINE
3,4-DIETHOXYBENZENAMINE
3,4-diethoxy-phenylamine
Benzenamine, 3,4-diethoxy-
3,4-Diethoxyaniline ISO 9001:2015 REACH
[EINECS(EC#)]

200-589-5
[Molecular Formula]

C10H15NO2
[MDL Number]

MFCD00026782
[MOL File]

39052-12-5.mol
[Molecular Weight]

181.23
Chemical PropertiesBack Directory
[Melting point ]

48°C
[Boiling point ]

314.35°C (rough estimate)
[density ]

1.0918 (rough estimate)
[refractive index ]

1.5200 (estimate)
[storage temp. ]

Keep in dark place,Inert atmosphere,Room temperature
[solubility ]

soluble in Methanol
[form ]

powder to crystal
[pka]

4.89±0.10(Predicted)
[color ]

Light yellow to Brown
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

36
[HS Code ]

2922190090
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Nitrogen-->3,4-Diethoxynitrobenzene-->Acetamide, N-(3-ethoxy-4-hydroxyphenyl)--->4-AMino-2-ethoxyphenol-->3,4-DIETHOXY NITROBENZENE-->2-Ethoxyphenol-->Ethanol-->Hydrogen
Hazard InformationBack Directory
[Chemical Properties]

Pink Solid
[Uses]

3,4-Diethoxyaniline can be used as an intermediate for the fungicide ethofluthrin.
[Synthesis]

3,4-DIETHOXY NITROBENZENE

4992-63-6

3,4-Diethoxyaniline

39052-12-5

The general procedure for the synthesis of 3,4-diethoxyaniline from 3,4-diethoxynitrobenzene was as follows: 3,4-diethoxynitrobenzene (6.30 g, 29.9 mmol), 10% palladium-carbon catalyst (600 mg), and anhydrous ethanol (300 mL) were added to a reaction flask, and the reaction was stirred for 6 hours under hydrogen atmosphere. Upon completion of the reaction, the insoluble palladium-carbon catalyst was removed by filtration and the filtrate was concentrated under reduced pressure to afford 3,4-diethoxyaniline as an oily product in a yield of 5.02 g (92.9% yield). The product was characterized by 1H-NMR (CDCl3) with chemical shifts δ: 1.34 to 1.46 (6H, m), 3.94 to 4.08 (4H, m), 6.21 (1H, d, J = 2.8,8.4 Hz), 6.30 (1H, d, J = 2.6 Hz), 6.73 (1H, d, J = 8.4 Hz).

[References]

[1] Patent: EP1437344, 2004, A1. Location in patent: Page 37
[2] Yuki Gosei Kagaku Kyokaishi, 1959, vol. 17, p. 166,169
[3] Chem.Abstr., 1959, p. 11280
Spectrum DetailBack Directory
[Spectrum Detail]

3,4-Diethoxyaniline(39052-12-5)1HNMR
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