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CAS No.: | 13338-63-1 |
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Name: | 3,4,5-Trimethoxyphenylacetonitrile |
Article Data: | 36 |
Molecular Structure: | |
Formula: | C11H13 N O3 |
Molecular Weight: | 207.229 |
Synonyms: | Acetonitrile,(3,4,5-trimethoxyphenyl)- (6CI,7CI,8CI); (3,4,5-Trimethoxyphenyl)acetonitrile;2-(3,4,5-Trimethoxyphenyl)acetonitrile; 3,4,5-Trimethoxybenzeneacetonitrile;3,4,5-Trimethoxybenzyl cyanide; 3,4,5-Trimethoxybenzylnitrile; NSC 97556 |
EINECS: | 236-388-5 |
Density: | 1.104 g/cm3 |
Melting Point: | 76-79 ºC |
Boiling Point: | 327.9 °C at 760 mmHg |
Flash Point: | 132.8 °C |
Solubility: | Insoluble in water |
Appearance: | white crystalline powder |
Hazard Symbols: | |
Risk Codes: | R20/21/22 |
Safety: | S24/25 |
PSA: | 51.48000 |
LogP: | 1.77848 |
Oxime of 3,4,5-trimethoxyphenylpyruvic acid
2-(3,4,5-trimethoxyphenyl)acetonitrile
Conditions | Yield |
---|---|
With 1,1'-oxalyldiimidazole In benzene 1.) r.t., 15 min, 2.) 68-70 deg C, 1 h; | 88% |
With acetic anhydride | |
With acetic anhydride for 0.0833333h; Heating; |
3,4,5-trimethoxyphenyl acetic acid
2-(3,4,5-trimethoxyphenyl)acetonitrile
Conditions | Yield |
---|---|
With sodium azide; TEA; triethylphosphine; (bis-(2-methoxyethyl)amino)sulfur trufluoride In dichloromethane; dimethyl sulfoxide at 0℃; for 50h; | 88% |
sodium cyanide
5-(chloromethyl)-1,2,3-trimethoxybenzene
2-(3,4,5-trimethoxyphenyl)acetonitrile
Conditions | Yield |
---|---|
In dimethyl sulfoxide at 20℃; for 36h; | 85% |
In acetonitrile Reflux; | |
In acetonitrile for 4h; Reflux; | |
In dimethyl sulfoxide |
2,3,4-trimethoxybromobenzene
acetonitrile
A
2-(3,4,5-trimethoxyphenyl)acetonitrile
B
Bis-(3,4,5-trimethoxy-phenyl)-acetonitrile
Conditions | Yield |
---|---|
With ethoxyethoxyethanol; sodium amide In 1,2-dimethoxyethane 1.) 45 deg C, 2 h, 2.) -10 deg C, 2 h, 3.) -30 deg C, 4.5 h; | A 83% B 11% |
3,4,5-trimethoxybenzyl bromide
sodium cyanide
2-(3,4,5-trimethoxyphenyl)acetonitrile
Conditions | Yield |
---|---|
In dimethyl sulfoxide Ambient temperature; | 75% |
3,4,5-trimethoxybenzoyl cyanide
2-(3,4,5-trimethoxyphenyl)acetonitrile
Conditions | Yield |
---|---|
With sodium sulfate; ethanethiol; zinc(II) chloride weiteres Reagens: Benzol; Erwaermen des Reaktionsprodukts mit Raney-Nickel in wss. Methanol; |
2-(3,4,5-trimethoxyphenyl)acetonitrile
Conditions | Yield |
---|---|
With acetic anhydride |
Oxime of 3,4,5-trimethoxyphenylpyruvic acid
acetic anhydride
2-(3,4,5-trimethoxyphenyl)acetonitrile
potassium cyanide
3,4,5-trimethoxy-benzaldehyde
2-(3,4,5-trimethoxyphenyl)acetonitrile
Conditions | Yield |
---|---|
With water; chloroformic acid ethyl ester; magnesium sulfate Hydrieren des Reaktionsprodukts an Palladium in Benzol; |
2,3,4-trimethoxybromobenzene
acetonitrile
2-(3,4,5-trimethoxyphenyl)acetonitrile
Conditions | Yield |
---|---|
With sodium amide 1.) liquid ammonia, 5 min, 2.) liquid ammonia, 15 min; Yield given. Multistep reaction; |
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