ChemicalBook--->CAS DataBase List--->96524-70-8

96524-70-8

96524-70-8 Structure

96524-70-8 Structure
IdentificationBack Directory
[Name]

Methyl(p-formylphenyl)acetate
[CAS]

96524-70-8
[Synonyms]

Methyl 2-(4-formylphenyl)
Methyl(p-formylphenyl)acetate
Methyl (4-formylphenyl)acetate
Methyl 2-(4-formylphenyl)acetate
Methyl 2-(4-formylphenyl)acetate 98%
4-Formylbenzeneacetic acid methyl ester
(4-Formylphenyl)acetic acid methyl ester
Benzeneacetic acid, 4-formyl-, methyl ester
[Molecular Formula]

C10H10O3
[MDL Number]

MFCD17018734
[MOL File]

96524-70-8.mol
[Molecular Weight]

178.18
Chemical PropertiesBack Directory
[Boiling point ]

285℃
[density ]

1.157
[Fp ]

124℃
[storage temp. ]

Inert atmosphere,2-8°C
[Appearance]

Off-white to yellow Solid
[InChI]

InChI=1S/C10H10O3/c1-13-10(12)6-8-2-4-9(7-11)5-3-8/h2-5,7H,6H2,1H3
[InChIKey]

YPJYQGMVBYQTTA-UHFFFAOYSA-N
[SMILES]

C1(CC(OC)=O)=CC=C(C=O)C=C1
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P280-P261
[HS Code ]

2918290090
Spectrum DetailBack Directory
[Spectrum Detail]

Methyl(p-formylphenyl)acetate(96524-70-8)1HNMR
Hazard InformationBack Directory
[Synthesis]

Methyl 2-(4-(hydroxyMethyl)phenyl)acetate

155380-11-3

Methyl(p-formylphenyl)acetate

96524-70-8

General procedure for the synthesis of methyl 4-formylphenylacetate from methyl 2-(4-(hydroxymethyl)phenyl)acetate: a solution was formed by dissolving Dess-Martin Periodinane (1.5 eq.) in dichloromethane (0.3 M) at room temperature and protected by nitrogen with stirring. Subsequently, a dichloromethane (0.2 M) solution of methyl 2-(4-(hydroxymethyl)phenyl)acetate was added to this solution. After the reaction was carried out for 4 hours, the reaction mixture was diluted with ether (0.1 M). Next, the reaction mixture was poured into a saturated sodium bicarbonate (0.5 M) solution containing sodium thiosulfate (10.5 equivalents) and stirred for 30 minutes. The organic and aqueous phases were separated and the organic phase was washed sequentially with saturated sodium bicarbonate solution (1 liter), water (1 liter) and brine (1 liter). The washed organic phase was dried with sodium sulfate, filtered and concentrated in vacuum to afford the target product methyl 4-formylphenylacetate in 94% yield. The product was characterized by 1H NMR (400 MHz, CDCl3): δ 10.00 (s, 1H), 7.86 (d, 2H), 7.46 (d, 2H), 3.72 (m, 5H).

[References]

[1] Bioorganic and Medicinal Chemistry Letters, 2005, vol. 15, # 10, p. 2647 - 2652
[2] Patent: US2004/254156, 2004, A1. Location in patent: Page 22
[3] Patent: WO2013/149997, 2013, A1. Location in patent: Page/Page column 47
[4] Patent: WO2014/86924, 2014, A1. Location in patent: Page/Page column 74; 75
[5] Patent: WO2007/106016, 2007, A1. Location in patent: Page/Page column 68
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