| Identification | Back Directory | [Name]
DIETHOXYACETONITRILE | [CAS]
6136-93-2 | [Synonyms]
Einecs 228-111-1
DIETHOXYACETONITRILE
diethoxy-acetonitril
Acetonitrile, diethoxy-
2,2-diethoxyacetonitrile
1,1-Diethoxyacetonitrile
Acetonitrile, 2,2-diethoxy-
2,2-Diethoxyacetonitrile,98%
DIETHOXYACETONITRILE ISO 9001：2015 REACH | [EINECS(EC#)]
228-111-1 | [Molecular Formula]
C6H11NO2 | [MDL Number]
MFCD00043982 | [MOL File]
6136-93-2.mol | [Molecular Weight]
129.16 |
| Chemical Properties | Back Directory | [Melting point ]
−19-−18 °C(lit.)
| [Boiling point ]
167.7 °C773 mm Hg(lit.)
| [density ]
0.929 g/mL at 25 °C(lit.)
| [refractive index ]
n20/D 1.4(lit.)
| [Fp ]
121 °F
| [storage temp. ]
Inert atmosphere,2-8°C | [form ]
liquid | [Appearance]
Colorless to light yellow Liquid | [InChI]
InChI=1S/C6H11NO2/c1-3-8-6(5-7)9-4-2/h6H,3-4H2,1-2H3 | [InChIKey]
UDELMRIGXNCYLU-UHFFFAOYSA-N | [SMILES]
C(#N)C(OCC)OCC | [EPA Substance Registry System]
Acetonitrile, diethoxy- (6136-93-2) |
| Hazard Information | Back Directory | [Uses]
Diethoxyacetonitrile may be used in the preparation of methyl 5-diethoxymethylimidazole-4-carboxylate, via anionic cycloaddition reaction with methyl isocyanoacetate. | [General Description]
Diethoxyacetonitrile is a 2,2-dialkoxyalkanenitrile derivative. Reaction of hydrocyanic acid with various ortho esters of aliphatic and aromatic acids in the presence of acidic catalyst has been reported to afford diethoxyacetonitrile. Houben-Hoesch reaction of diethoxyacetonitrile with 1,2,4-trimethoxybenzene affords tris(2,4,5-trimethoxyphenyl)methane. | [Synthesis]
The general procedure for the synthesis of diethoxyacetonitrile from 2,2-diethoxyacetamide is as follows (cf. Inami, K., Shiba, T., Bull. Chem. Soc. Jpn., 1985, 58, 352): 2,2-diethoxyacetamide (7.13 g, 49.04 mmol) was dissolved in toluene (50 mL), followed by the addition of triethylamine (NEt3, 10.4 mL) and phosphorus pentoxide (P2O5, 9.04 g, 64.32 mmol). The reaction mixture was stirred for 1 hour. Upon completion of the reaction, the solvent was first removed by distillation at atmospheric pressure and then changed to reduced pressure distillation to collect the diethoxyacetonitrile to give a clear, colorless liquid product (4.049 g, 64% yield). The boiling point of the product was 100 °C (12-15 mmHg). IR spectra (KBr, cm^-1): 2983, 2937, 2896 (υC-H), 2247 (υC≡N), 1067 (δC-O). NMR hydrogen spectrum (CDCl3): δ 1.27 (6H, t, J = 8.0 Hz, 2 × CH3), 3.73 (4H, m, 2 × CH2), 5.31 (1H, s, CH). Low Resolution Mass Spectrometry (LREIMS): measured value 130.13 (M+H), calculated value C6H11NO2 129.08. | [References]
[1] Bulletin of the Chemical Society of Japan, 1985, vol. 58, # 1, p. 352 - 360
[2] Patent: WO2008/38018, 2008, A1. Location in patent: Page/Page column 63-64
[3] Journal of the American Chemical Society, 1947, vol. 69, p. 2660
[4] Journal of the American Chemical Society, 1947, vol. 69, p. 2660
[5] Chemische Berichte, 1934, vol. 67, p. 1507,1511 |
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J & K SCIENTIFIC LTD.
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18210857532 18210857532 |
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https://www.jkchemical.com |
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Energy Chemical
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400-0056266 |
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www.energy-chemical.com |
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Jia Xing Isenchem Co.,Ltd
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0573-85285100 18627885956 |
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