2,5-DIMETHOXY-4-METHYLBENZALDEHYDE
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2,5-DIMETHOXY-4-METHYLBENZALDEHYDE
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CAS No:
4925-88-6
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Formula:
C10H12O3
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Chemical Name:
2,5-DIMETHOXY-4-METHYLBENZALDEHYDE
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Synonyms:
2,5-Dimethoxy-4-methylbenzaldehyde;Benzaldehyde, 2,5-dimethoxy-4-methyl-;4-Methyl-2,5-dimethoxybenzaldehyde;UNII-238B3L4AUK;2,5-Dimethoxy-4-methyl-benzaldehyde;238B3L4AUK;2,5-Dimethoxy-p-tolualdehyde;p-Tolualdehyde, 2,5-dimethoxy-;2,5-Dimethoxy-4-methylbenzaldehyde [WHO-DD];AMBZ0065
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CAS No:
2,5-DIMETHOXY-4-METHYLBENZALDEHYDE Basic Attributes
180.203
180.07900
238B3L4AUK
DTXSID50345130
2912499000
Characteristics
35.5
1.7
1.089g/cm3
82-86℃
130.7ºC
1.531
Soluble in dichloromethane, dimethyl sulfoxide and methanol. Slightly soluble in water.
Safety Information
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
2,5-DIMETHOXY-4-METHYLBENZALDEHYDE Use and Manufacturing
After stirring a mixture of 8.5 mi of N-methyifor maniiide (0.068 moi) and 6.3 mi of phosphorus oxytrichio ride (0.068 moi) at room temperature for 40 minutes, 17.8 g of 2, 5-dimethoxytoiuene (0.117 moi) are introduced. The reaction mixture is heated for 6 hours at 500 C. and then, after returning to a temperature of 20 C., it is hydroiysed with 100 mi of aqueous 10percent sodium acetate soiution, extracted twice with diethyi ether and concentrated. The residue is taken up in aqueous sodium hydrogen suiphite soiution and extracted twice with diethyi ether. The aqueous phase is basied (pH=12) in order to give white crystais; m.p.=83 C.; yieid=67percent.Phosphorous oxychloride (12.5 mL) was slowly added to 2, 5-dimethoxy-toluene (5 g, 3.3 mmol) in 10 mL DMF. The reaction was stirred at room temperature for 4 h then heated to 80 °C for 4 h. Then the reaction was poured into ice water and filtered. The filtrate was collected, dried over sodium sulfate and concentrated under reduced pressure to provide 5.1 g (85.9percent) of the desired product as a pale yellow solid. TLC: Rf = 0.4 (EtOAc: Hexane, 1 :9), UV active.
2,5-Dimethoxy-4-methylbenzaldehyde is used in the preparation of phenylamine derivative as potential psychotomimetics.
Computed Properties
Molecular Weight:180.20
XLogP3:1.7
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:180.078644241
Monoisotopic Mass:180.078644241
Topological Polar Surface Area:35.5
Heavy Atom Count:13
Complexity:170
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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2,5-DIMETHOXY-4-METHYLBENZALDEHYDE
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