2,4-Dihydroxy-3-methylbenzaldehyde
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2,4-Dihydroxy-3-methylbenzaldehyde
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CAS No:
6248-20-0
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Formula:
C8H8O3
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Chemical Name:
2,4-Dihydroxy-3-methylbenzaldehyde
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Synonyms:
Benzaldehyde,2,4-dihydroxy-3-methyl-;β-Resorcylaldehyde,3-methyl-;2,4-Dihydroxy-3-methylbenzaldehyde;2,4-Dihydroxy-m-tolualdehyde;4-Formyl-2-methylresorcinol;3-Methyl-2,4-dihydroxybenzaldehyde
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CAS No:
2,4-Dihydroxy-3-methylbenzaldehyde Basic Attributes
152.14732
152.15
228-369-5
8X373W842S
DTXSID6064161
2912499000
Safety Information
24/25
|Warning|H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
2,4-Dihydroxy-3-methylbenzaldehyde Use and Manufacturing
DMF (6.2 mL, 80.65 mmol)And phosphorus oxychloride (8.1 mL, 88.61 mmol) were mixed, Then 2-methylresorcinol (5.0 g, 0.806 mmol)Of ethyl acetate (100 mL)The solution was stirred at room temperature for 2 h.Ethyl acetate, combined with organic phase, Dried over anhydrous sodium sulfate, filtered, concentrated under reduced pressure, The product was chromatographed on silica gel column (4.9 g, 79.9percent);Example 3 (S)-N-(2-cyano- 1 -( 1 -hydroxy-7-methyl- 1 , 3 -dihydrobenzo [c| [ 1 , 21oxaborol-6-yloxy)propa n-2-yl) -4-(trifluoromethoxy)benzamide Phosphorous oxychloride (8.3mL, 89mmol) is added dropwise to DMF (25mL) stirring at 0°C in a round-bottom flask under N2, 4-Dihydroxy-3-methylbenzaldehyde (8) Into a clean and dry 2L, 4-Necked RB Flask, charged 600 ml of dichloromethane under nitrogen atmosphere at RT. N, N-Dimethylformamide (324g) was charged to the reaction mass under stirring at RT. Reaction mass was cooled to 0-5°C. Phosphorous oxychloride (568g) was slowly added to the reaction mass at 0-5°C. After completion of the addition, mass was allowed to reach 25°C and maintained at 25-30°C for 1.5h. The reaction mass was cooled 0-5°C. 2-Methylresorcinol (200g) was added in lots maintaining the mass temperature at 0-5°C. Reaction mass was maintained for 16h at RT, poured into chilled water (2500ml). Reaction mass was stirred for 15h at 25-30°C and filtered under suction. The wet cake was washed with 1000ml water and dried under vacuum at 60-65°C for 6 h to get 21 Og of title compound as an off-white solid.Into a clean and dry 2L, 4-Necked RB Flask, charged 600 ml of dichloromethane under nitrogen atmosphere at RT. N, N-Dimethylformamide (324 g) was charged to the reaction mass under stirring at RT. A. A. A.
Benzaldehyde, 2,4-dihydroxy-3-methyl-: INACTIVE
Computed Properties
Molecular Weight:152.15
XLogP3:1.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:152.047344113
Monoisotopic Mass:152.047344113
Topological Polar Surface Area:57.5
Heavy Atom Count:11
Complexity:146
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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2,4-Dihydroxy-3-methylbenzaldehyde
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