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Cas Database |
| Name |
2-Propenenitrile,2-(methoxymethyl)-3-(3,4,5-trimethoxyphenyl)- |
EINECS | 231-378-7 |
| CAS No. | 7520-69-6 | Density | 1.12 g/cm3 |
| PSA | 60.71000 | LogP | 2.26578 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C14H17NO4 | Boiling Point | 428.7 °C at 760 mmHg |
| Molecular Weight | 263.293 | Flash Point | 170.7 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Cinnamonitrile,3,4,5-trimethoxy-a-(methoxymethyl)-(7CI,8CI);3,4,5-Trimethoxy-a-(methoxymethyl)cinnamonitrile;a-(3,4,5-Trimethoxybenzylidene)-b-methoxypropionitrile;a-(3,4,5-Trimethoxybenzylidene)-b-methoxypropylnitrile;2-(methoxymethyl)-3-(3,4,5-trimethoxyphenyl)acrylonitrile; |
Article Data | 4 |
2-Propenenitrile,2-(methoxymethyl)-3-(3,4,5-trimethoxyphenyl)- Specification
The 2-Propenenitrile,2-(methoxymethyl)-3-(3,4,5-trimethoxyphenyl)- with CAS registry number of 7520-69-6 is also called 2-(methoxymethyl)-3-(3,4,5-trimethoxyphenyl)acrylonitrile. Its IUPAC name is called (E)-2-(methoxymethyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enenitrile. Its EINECS registry number is 231-378-7.
Physical properties about this chemical are: (1) ACD/LogP: 2.54; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 2.54; (4) ACD/LogD (pH 7.4): 2.54; (5) ACD/BCF (pH 5.5): 50.46; (6) ACD/BCF (pH 7.4): 50.46; (7) ACD/KOC (pH 5.5): 576.24; (8) ACD/KOC (pH 7.4): 576.24; (9) #H bond acceptors: 5; (10) #H bond donors: 0; (11) #Freely Rotating Bonds: 6; (12) Polar Surface Area: 60.71 Å2; (13) Index of Refraction: 1.533; (14) Molar Refractivity: 72.94 cm3; (15) Molar Volume: 234.9 cm3; (16) Polarizability: 28.91×10-24 cm3; (17) Surface Tension: 38.1 dyne/cm; (18) Density: 1.12 g/cm3; (19) Flash Point: 170.7 °C; (20) Enthalpy of Vaporization: 68.39 kJ/mol; (21) Boiling Point: 428.7 °C at 760 mmHg; (22) Vapour Pressure: 1.48E-07 mmHg at 25°C.
Preparation of 2-Propenenitrile,2-(methoxymethyl)-3-(3,4,5-trimethoxyphenyl)-: this chemical is prepared by acrylonitrile and methanol; sodium salt.
The reaction occurs with reagent methanol at ambient temperature. The yield is 82%.
Uses of 2-Propenenitrile,2-(methoxymethyl)-3-(3,4,5-trimethoxyphenyl)-: it can react with methanol; sodium salt to give 3-methoxy-2-methyl-3-(3,4,5-trimethoxy-phenyl)-acrylonitrile, 2-Cyan-3-(3,4,5-trimethoxy-phenyl)-propionaldehyd-dimethylacetal and 3-methoxy-2-(3,4,5-trimethoxybenzyl)propiononitrile.
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The reaction needs reagent dimethylsulfoxide, and will occur at temperature of 70 - 75 °C for 1.5 hours. The yield is 79%.
You can still convert the following datas into molecular structure:
(1) SMILES: COCC(=CC1=CC(=C(C(=C1)OC)OC)OC)C#N;
(2) InChI: InChI=1/C14H17NO4/c1-16-9-11(8-15)5-10-6-12(17-2)14(19-4)13(7-10)18-3/h5-7H,9H2,1-4H3/b11-5+;
(3) InChIKey: RMKSZKNEPFLURM-VZUCSPMQBQ;
(4) Std. InChI: InChI=1S/C14H17NO4/c1-16-9-11(8-15)5-10-6-12(17-2)14(19-4)13(7-10)18-3/h5-7H,9H2,1-4H3/b11-5+;
(5) Std. InChIKey: RMKSZKNEPFLURM-VZUCSPMQSA-N
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