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Cas Database |
| Name |
7-Methoxy-1-naphthylacetonitrile |
EINECS | -0 |
| CAS No. | 138113-08-3 | Density | 1.135 g/cm3 |
| PSA | 33.02000 | LogP | 2.91448 |
| Solubility | N/A | Melting Point |
81-83 °C |
| Formula | C13H11NO | Boiling Point | 374.3 °C at 760 mmHg |
| Molecular Weight | 197.236 | Flash Point | 157.7 °C |
| Transport Information | N/A | Appearance | tan solid |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
7-methoxy-1-naphthyl acetonitrile; |
Article Data | 31 |
7-Methoxy-1-naphthylacetonitrile Synthetic route
- 138113-08-3
(7-methoxy-1-naphthyl)acetonitrile
- 773837-37-9
sodium cyanide
- 91571-02-7
1-bromomethyl-7-methoxynaphthalene
- 138113-08-3
(7-methoxy-1-naphthyl)acetonitrile
| Conditions | Yield |
|---|---|
| In dimethyl sulfoxide at 140 - 145℃; for 3h; | 99% |
- 861960-34-1
2-(7-methoxy-3,4-dihydronaphthalen-1-yl)acetonitrile
- 138113-08-3
(7-methoxy-1-naphthyl)acetonitrile
| Conditions | Yield |
|---|---|
| With oxygen; 2,3-dicyano-5,6-dichloro-p-benzoquinone In dichloromethane at 20℃; under 15.0015 Torr; for 6h; Catalytic behavior; Solvent; Pressure; Green chemistry; | 95% |
| With oxygen; 2,3-dicyano-5,6-dichloro-p-benzoquinone In dichloromethane at 20℃; under 15.0015 Torr; for 5h; Solvent; Pressure; Time; | 93% |
| With oxygen; 2,3-dicyano-5,6-dichloro-p-benzoquinone In dichloromethane at 20℃; under 15.0015 Torr; for 5h; Pressure; Solvent; | 93% |
| Conditions | Yield |
|---|---|
| With 5%-palladium/activated carbon In dimethyl sulfoxide at 20℃; for 4.5h; Molecular sieve; | 95% |
- 138113-08-3
(7-methoxy-1-naphthyl)acetonitrile
| Conditions | Yield |
|---|---|
| With acetic acid for 12h; Reflux; | 95% |
- 83710-61-6
1-bromo-7-methoxy-naphthalene
- 590-17-0
cyanomethyl bromide
- 138113-08-3
(7-methoxy-1-naphthyl)acetonitrile
| Conditions | Yield |
|---|---|
| Stage #1: 1-bromo-7-methoxy-naphthalene With iodine; magnesium In tetrahydrofuran at 5 - 38℃; for 2.08333h; Stage #2: cyanomethyl bromide In tetrahydrofuran at 0 - 55℃; for 2h; Temperature; Solvent; Concentration; | 94.6% |
- 138113-08-3
(7-methoxy-1-naphthyl)acetonitrile
| Conditions | Yield |
|---|---|
| With formic acid In toluene for 12h; Reflux; | 94% |
- 1079774-32-5
(7-hydroxy-1-naphthyl)acetonitrile
- 77-78-1
dimethyl sulfate
- 138113-08-3
(7-methoxy-1-naphthyl)acetonitrile
| Conditions | Yield |
|---|---|
| With potassium carbonate In acetone for 3h; Reflux; | 92.9% |
- 138113-08-3
(7-methoxy-1-naphthyl)acetonitrile
| Conditions | Yield |
|---|---|
| In toluene for 12h; Reflux; | 92% |
- 138113-08-3
(7-methoxy-1-naphthyl)acetonitrile
| Conditions | Yield |
|---|---|
| With acetic acid In toluene for 12h; Reflux; | 92% |
7-Methoxy-1-naphthylacetonitrile Specification
The 7-Methoxy-1-naphthylacetonitrile with cas register number of 138113-08-3 belongs to the categories of Aromatics Compounds. It has the appearance of tan solid. Its systematic name is called (7-methoxynaphthalen-1-yl)acetonitrile; 1-Cyanomethyl-7-methoxynaphthalene; 2-(7-Methoxy-1-naphthyl)acetonitrile; Agomelatine Intermediate 1; N-[2-(7-Methoxy-1-naphthyl)ethyl]acetaMide.
The physical properties about 7-Methoxy-1-naphthylacetonitrile are: (1)ACD/LogP: 2.595; (2)ACD/LogD (pH 5.5): 2.60; (3)ACD/LogD (pH 7.4): 2.60; (4)ACD/BCF (pH 5.5): 55.24; (5)ACD/BCF (pH 7.4): 55.24; (6)ACD/KOC (pH 5.5): 614.76; (7)ACD/KOC (pH 7.4): 614.76; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds:2; (10)Index of Refraction: 1.609; (11)Molar Refractivity: 60.237 cm3; (12)Molar Volume: 173.752 cm3; (13)Polarizability: 23.88 10-24cm3; (14)Surface Tension: 46.068000793457 dyne/cm; (15)Density: 1.135 g/cm3; (16)Flash Point: 157.742 °C; (17)Enthalpy of Vaporization: 62.173 kJ/mol; (18)Boiling Point: 374.348 °C at 760 mmHg
You can still convert the following datas into molecular structure:
(1)SMILES: N#CCc1c2c(ccc1)ccc(OC)c2;
(2)InChI: InChI=1/C13H11NO/c1-15-12-6-5-10-3-2-4-11(7-8-14)13(10)9-12/h2-6,9H,7H2,1H3;
(3)InChIKey: PYJMGUQHJINLLD-UHFFFAOYAD
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