ChemicalBook--->CAS DataBase List--->5395-89-1

5395-89-1

5395-89-1 Structure

5395-89-1 Structure
IdentificationBack Directory
[Name]

2-methylsulfonylbenzaldehyde
[CAS]

5395-89-1
[Synonyms]

2-mesylbenzaldehyde
2-methylsulfonylbenzaldehyde
2-Methanesulfonylbenzaldehyde
Benzaldehyde,2-(Methylsulfonyl)-
2-(Methylsulfonyl)-Benzaldehyde 97%
[Molecular Formula]

C8H8O3S
[MDL Number]

MFCD11052332
[MOL File]

5395-89-1.mol
[Molecular Weight]

184.21
Chemical PropertiesBack Directory
[Melting point ]

98-99 °C(Solv: water (7732-18-5))
[Boiling point ]

385.7±34.0 °C(Predicted)
[density ]

1.289±0.06 g/cm3(Predicted)
[storage temp. ]

2-8°C, stored under nitrogen
[form ]

solid
[Appearance]

White to off-white Solid
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302
[Precautionary statements ]

P280-P305+P351+P338
[HS Code ]

2913000090
Spectrum DetailBack Directory
[Spectrum Detail]

2-methylsulfonylbenzaldehyde(5395-89-1)1HNMR
Hazard InformationBack Directory
[Synthesis]

Methanesulfonic acid

17696-73-0

2-Fluorobenzaldehyde

446-52-6

2-methylsulfonylbenzaldehyde

5395-89-1

2-Fluorobenzaldehyde (12.4 g, 0.1 mol, 1 eq.) and methanesulfonic acid (11.2 g, 0.11 mol, 1.1 eq.) were dissolved in DMSO (75 ml) and heated to 100 °C for 16 hours. After completion of the reaction, the mixture was cooled to room temperature and poured into crushed ice (100 g). The resulting 2-(methylsulfonyl)benzaldehyde was collected by filtration and dried under vacuum at 45 °C for 16 h to give a yellow solid product (9.2 g, 50% yield). The product was characterized as follows: 1H NMR (300 MHz, CDCl3) δ 10.77 (1H, s, CHO), 8.18-8.16 (1H, m, ArH), 8.10-8.08 (1H, m, ArH), 7.83-7.80 (2H, m, ArH), 3.28 (3H, s, SO2CH3); LCMS (6 min) Rt = 1.93 min, (M++1) = 185.1.

[References]

[1] Patent: WO2004/52858, 2004, A2. Location in patent: Page 109
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