2,4,6-Trihydroxybenzaldehyde
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2,4,6-Trihydroxybenzaldehyde
structure -
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CAS No:
487-70-7
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Formula:
C7H6O4
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Chemical Name:
2,4,6-Trihydroxybenzaldehyde
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Synonyms:
Benzaldehyde,2,4,6-trihydroxy-;2,4,6-Trihydroxybenzaldehyde;Phloroglucinaldehyde;Formylphloroglucinol;NSC 38610;WLH 113;4,6-Dihydroxysalicylaldehyde
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CAS No:
2,4,6-Trihydroxybenzaldehyde Basic Attributes
154.121
154.12
207-663-7
I70C45KRO9
38610
DTXSID90197594
2912499000
Characteristics
77.8
0.9
1.6±0.1 g/cm3
292-295 °C (decomp)
319.1°C at 760 mmHg
161.0±18.8 °C
1.734
Soluble in water.
Safety Information
NONH for all modes of transport
2
R36/37/38
S26-S36
CU8440000
Xi: Irritant;
P280-P305 + P351 + P338-P337 + P313
H315-H319-H335
Drug Information
2,4,6-Trihydroxybenzaldehyde is a known human metabolite of Cyanidin.
2,4,6-trihydroxybenzaldehyde
2,4,6-Trihydroxybenzaldehyde Use and Manufacturing
To a solution of 15 (1.9 g, 15 mmol) in EtOAc (20 ml) was added DMF (1.26 ml, 16.5 mmol) and POClA 100 mL round bottom flask was charged with phloroglucin (3 g, 24 mmol) and DMF (30 mL). To a cooled (0 °C) solution of phloroglucinol (13) (20.0 g, 0.159 mol) and DMF (12.2 mL, 0.159 mol) in EtOAc (300 mL), POClIn a 1 L single-necked flask, phloroglucinol dihydrate (38.6 g, 0.238 mol), DMF (55.03 mL, 0.714 mol), ethyl acetate (450 mL), Phosphorus oxychloride (66.32 mL, 0.714 mol) was slowly added dropwise under ice bath.After the addition, transfer to room temperature for 1 h, filter, wash with ethyl acetate, place the filter cake in a 500 mL single-necked flask, add water (150 mL), protect with nitrogen, warm to reflux and maintain for 10 min, then cool to room temperature and then refrigerate in the refrigerator. 1h, Filter, wash with water, collect the filter cake and dry in vacuo without further purification.A white solid was obtained in 36 g, yield 98percent.
Reactant involved in the synthesis of biologically active molecules including:• ;2,4,6-trichlorophenyl hydrazones with potential inhibition of protein glycation1• ;Esculentoside A derivatives with haemolytic activity and LPS-induced nitric oxide production inhibition2• ;α-Nucleophiles for hydrolysis of organophosphorus nerve agents3• ;Xanthine oxidase inhibitors4• ;Non-complexes Schiff base hydrazones5• ;Methylated (±)-epigallocatechin gallate library for anticancer activity studies6
Computed Properties
Molecular Weight:154.12
XLogP3:0.9
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:154.02660867
Monoisotopic Mass:154.02660867
Topological Polar Surface Area:77.8
Heavy Atom Count:11
Complexity:135
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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