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CAS No.: | 86-51-1 |
---|---|
Name: | 2,3-Dimethoxybenzaldehyde |
Article Data: | 79 |
Molecular Structure: | |
Formula: | C9H10O3 |
Molecular Weight: | 166.177 |
Synonyms: | o-Veratraldehyde(6CI,7CI,8CI);Benzaldehyde,2,3-dimethoxy-;5,6-Dimethoxybenzaldehyde;NSC403661;NSC 51953;NSC 6314; |
EINECS: | 201-677-7 |
Density: | 1.114 g/cm3 |
Melting Point: | 48-52 °C(lit.) |
Boiling Point: | 266.7 °C at 760 mmHg |
Flash Point: | 105.8 °C |
Appearance: | white to brown crystalline powder |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36 |
PSA: | 35.53000 |
LogP: | 1.51630 |
Conditions | Yield |
---|---|
With aluminium trichloride; 1-decyl-4-aza-1-azoniabicyclo[2.2.2]octane chlorochromate In acetonitrile for 1.4h; Heating; | 99% |
With benzyltriphenylphosphonium dichromate In acetonitrile for 0.333333h; Oxidation; Heating; | 98% |
With benzyltriphenylphosphonium chlorochromate In dichloromethane for 0.0333333h; Oxidation; microwave irradiation; | 98% |
Conditions | Yield |
---|---|
With potassium carbonate In N,N-dimethyl-formamide at 45℃; for 42h; | 99% |
Stage #1: 3-methoxy-2-hydroxybenzaldehyde With potassium carbonate In N,N-dimethyl-formamide at 20℃; for 0.25h; Stage #2: methyl iodide In N,N-dimethyl-formamide at 20℃; | |
Stage #1: 3-methoxy-2-hydroxybenzaldehyde With potassium carbonate In N,N-dimethyl-formamide at 20℃; for 0.25h; Stage #2: methyl iodide In N,N-dimethyl-formamide at 20℃; | |
Stage #1: 3-methoxy-2-hydroxybenzaldehyde With potassium carbonate In N,N-dimethyl-formamide at 20℃; for 0.25h; Stage #2: methyl iodide In N,N-dimethyl-formamide at 20℃; |
Conditions | Yield |
---|---|
With potassium carbonate In benzene | 98.7% |
With potassium carbonate In methanol for 2.5h; Heating; | 93% |
With potassium carbonate In benzene for 26h; Heating; | 89% |
Conditions | Yield |
---|---|
With triethylamine; magnesium chloride In 5,5-dimethyl-1,3-cyclohexadiene at 100℃; for 6h; | 94.4% |
2,3-dimethyoxybenzaldehyde
Conditions | Yield |
---|---|
With bismuth(lll) trifluoromethanesulfonate In dichloromethane; water at 20℃; for 0.166667h; | 90% |
Conditions | Yield |
---|---|
Stage #1: 2,3-dihydroxybenzaldehyde With potassium carbonate In acetone at 20℃; for 0.5h; Stage #2: dimethyl sulfate In acetone at 20℃; for 5h; | 89% |
With sodium hydroxide In water for 1h; Heating; | 68% |
dicobalt octacarbonyl
2,3-dimethoxyphenyl triflate
2,3-dimethyoxybenzaldehyde
Conditions | Yield |
---|---|
With triethylsilane; dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH2Cl2; sodium acetate In acetonitrile at 25℃; for 16h; Schlenk technique; Inert atmosphere; | 83% |
With triethylsilane; potassium acetate; palladium diacetate; 4,5-bis(diphenylphos4,5-bis(diphenylphosphino)-9,9-dimethylxanthenephino)-9,9-dimethylxanthene at 50℃; for 12h; Schlenk technique; Inert atmosphere; Molecular sieve; | 72% |
Conditions | Yield |
---|---|
With iodine; triethylamine; triphenylphosphine In toluene at 80℃; for 4h; Sealed tube; | 82% |
1,2-Dimethoxy-3-phenethyloxymethyl-benzene
A
2-phenylethanol
B
2,3-dimethyoxybenzaldehyde
Conditions | Yield |
---|---|
With 2,3-dicyano-5,6-dichloro-p-benzoquinone In dichloromethane; water at 20℃; for 12.5h; | A 75% B 73% |
Conditions | Yield |
---|---|
With potassium carbonate In N,N-dimethyl-formamide at 80℃; for 1h; | 73% |
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Structure of 2,3-Dimethoxybenzaldehyde (CAS NO.86-51-1):
IUPAC Name: 2,3-Dimethoxybenzaldehyde
Molecular Formula: C9H10O3
Molar mass: 166.1739 g/mol
Density: 1.114 g/cm3
Melting Point: 48-52 °C(lit.)
Flash Point: 105.8 °C
Boiling Point: 266.7 °C at 760 mmHg
Sensitive: air sensitive
Index of Refraction: 1.534
Molar Refractivity: 46.36 cm3
Molar Volume: 149.1 cm3
Surface Tension: 36.1 dyne/cm
Vapour Pressure: 0.00849 mmHg at 25 °C
XLogP3: 1.1
H-Bond Acceptor: 3
Rotatable Bond Count: 3
Exact Mass: 166.062994
MonoIsotopic Mass: 166.062994
Topological Polar Surface Area: 35.5
Heavy Atom Count: 12
Canonical SMILES: COC1=CC=CC(=C1OC)C=O
InChI: InChI=1S/C9H10O3/c1-11-8-5-3-4-7(6-10)9(8)12-2/h3-6H,1-2H3
InChIKey: JIVGSHFYXPRRSZ-UHFFFAOYSA-N
EINECS: 201-677-7
Product Categories: Aromatic Aldehydes & Derivatives (substituted); BenzaldehydeDerivative; Benzaldehyde; Aldehydes; C9; Carbonyl Compounds
2,3-Dimethoxybenzaldehyde (CAS NO.86-51-1) can be used as the materials for the organic synthesis intermediates. It also can be used in pharmaceutical industry for the synthesis of berberine and others.
2,3-Dimethoxybenzaldehyde has been derived from the reaction 2- methoxy-3-hydroxybenzaldehyde (o-vanillin) with dimethyl sulfate .
1. | orl-rat TDLo:7.3 mg/kg | BIPBU* Biological & pharmaceutical bulletin. 24 (2001),1277. |
Hazard Codes: Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.
WGK Germany: 3
RTECS: CU5732000
Hazard Note: Irritant
HS Code: 29124900
A poison by ingestion. When heated to decomposition it emits acrid smoke and irritating vapors.
2,3-Dimethoxybenzaldehyde (CAS NO.86-51-1) is also named as AI3-00141 ; NSC 403661 ; Benzaldehyde, 2,3-dimethoxy- (9CI) ; o-Veratraldehyde (8CI) . 2,3-Dimethoxybenzaldehyde (CAS NO.86-51-1) is white to brown crystalline powder.