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Conditions | Yield |
---|---|
With ethyl phosphodichloridite; 1,8-diazabicyclo[5.4.0]undec-7-ene In dichloromethane at 20℃; for 2h; | 92% |
Conditions | Yield |
---|---|
With sodium cyanide | 91% |
α-(3,4-dimethoxyphenyl)-α-(methylthio)acetonitrile
3,4-dimethoxyphenylacetonitrile
Conditions | Yield |
---|---|
With acetic acid; zinc at 100℃; for 1h; | 90% |
2-(3,4-dimethoxyphenyl)acetaldehyde oxime
3,4-dimethoxyphenylacetonitrile
Conditions | Yield |
---|---|
With trimethylsilyl iodide; 1,1,1,3,3,3-hexamethyl-disilazane In chloroform at 56℃; for 4h; | 86% |
With trimethylsilyl iodide; 1,1,1,3,3,3-hexamethyl-disilazane In chloroform at 56℃; for 4h; Product distribution; other temperature, without hexamethyldisilazane (TMS2NH); | 86% |
With acetic anhydride | |
With trimethylsilyl iodide In chloroform for 2h; Ambient temperature; | 40 mg |
4-isoxazoleboronic acid pinacol ester
4-Bromoveratrole
3,4-dimethoxyphenylacetonitrile
Conditions | Yield |
---|---|
With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; potassium fluoride; water In dimethyl sulfoxide at 130℃; for 16h; Domino Suzuki coupling and fragmentation reaction; Inert atmosphere; | 84% |
3,4-Dimethoxyphenylthioacetamid
3,4-dimethoxyphenylacetonitrile
Conditions | Yield |
---|---|
With 1-oxa-2-azaspiro[2.5]octane In toluene at 20 - 25℃; for 4h; | 82% |
4-Bromoveratrole
acetonitrile
A
3,4-dimethoxyphenylacetonitrile
B
bis(3,4-dimethoxyphenyl)acetonitrile
Conditions | Yield |
---|---|
With ethoxyethoxyethanol; sodium amide In 1,2-dimethoxyethane 1.) 45 deg C, 2 h, 2.) -10 deg C, 2 h, 3.) -45 deg C, 4.5 h; | A 78% B 8% |
sodium cyanide
1-(3,4-Dimethoxy-benzyl)-2-methylsulfanyl-4,6-diphenyl-pyridinium; iodide
3,4-dimethoxyphenylacetonitrile
Conditions | Yield |
---|---|
In 1,2-dimethoxyethane for 24h; Heating; | 76% |
potassium cyanide
4-chloromethyl-1,2-dimethoxy-benzene
3,4-dimethoxyphenylacetonitrile
Conditions | Yield |
---|---|
In dimethyl sulfoxide for 20h; | 67% |
With benzene | |
With hydrogenchloride |
Conditions | Yield |
---|---|
With iodine; 1-hydroxy-3H-benz[d][1,2]iodoxole-1,3-dione In dimethyl sulfoxide at 65℃; for 3h; | 64% |
IUPAC Name: 2-(3,4-Dimethoxyphenyl)acetonitrile
Synonyms of 3,4-Dimethoxyphenylacetonitrile (CAS NO.93-17-4): 3,4-Dimethoxybenzyl cyanide ; 3,4-Dimethoxyphenylacetonitrile ; 3,4-Dimethylbenzyl cyanide ; 4-10-00-01513 (Beilstein Handbook Reference) ; AI3-23882 ; Acetonitrile, 3,4-(dimethoxyphenyl)- ; BRN 1956100 ; EINECS 202-225-1 ; Homoveratronitrile ; NSC 6324 ; Veratryl cyanide ; Benzeneacetonitrile, 3,4-dimethoxy- (9CI)
CAS NO: 93-17-4
Molecular Formula: C10H11NO2
Molecular Weight: 177.1998
Molecular Structure:
Melting Point: 54-57 °C
ProductCategories: Catechol Derivatives ; Aromatic Nitriles ; Nitriles
Polar Surface Area: 42.25 Å2
Index of Refraction: 1.511
Molar Refractivity: 49.07 cm3
Molar Volume: 163.6 cm3
Surface Tension: 37.7 dyne/cm
Density of 3,4-Dimethoxyphenylacetonitrile (CAS NO.93-17-4): 1.082 g/cm3
Flash Point: 116.6 °C
Enthalpy of Vaporization: 56.13 kJ/mol
Boiling Point: 319.7 °C at 760 mmHg
Vapour Pressure: 0.000333 mmHg at 25°C
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intravenous | 178mg/kg (178mg/kg) | U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#00302, | |
mouse | LD50 | oral | 1029mg/kg (1029mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: ANALGESIA | Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 26(2), Pg. 55, 1982. |
rat | LD50 | unreported | 1500mg/kg (1500mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: ANALGESIA | Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 26(2), Pg. 55, 1982. |
Cyanide and its compounds are on the Community Right-To-Know List.
Hazard Codes of 3,4-Dimethoxyphenylacetonitrile (CAS NO.93-17-4): Xn,T
Risk Statements: 23/24/25-36/37/38-20/21/22
R23/24/25: Toxic by inhalation, in contact with skin and if swallowed.
R36/37/38: Irritating to eyes, respiratory system and skin.
R20/21/22: Harmful by inhalation, in contact with skin and if swallowed.
Safety Statements: 36/37-45-22-26
S36/37: Wear suitable protective clothing and gloves.
S45: In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
S22: Do not breathe dust.
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
RIDADR: 3276
WGK Germany: 3
RTECS: AL9325000
Hazard Note: Irritant
Poison by intravenous route. Moderately toxic by ingestion. When heated to decomposition it emits toxic fumes of NOx and CN−. See also NITRILES.