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21553-46-8

21553-46-8 Structure

21553-46-8 Structure
IdentificationMore
[Name]

3,5-Dimethyl-4-methoxybenzoic acid
[CAS]

21553-46-8
[Synonyms]

3,5-DIMETHYL-4-METHOXYBENZOIC ACID
3,5-DIMETHYL ANISIC ACID
3,5-DIMETHYL-P-ANISIC ACID
4-METHOXY-3,5-DIMETHYLBENZOIC ACID
3,5-Dimethyl-4-Methoxybenzoic
3,5-Dimethyl-4-methoxybenzoic acid, GC 98%
3,5-DIMETHYL-4-ANISIC ACID
3,5-DIMETHYL-4-ANISIC ICD
3,5-DIMETHYL-P-ANISIC ACID 98%
[EINECS(EC#)]

244-441-9
[Molecular Formula]

C10H12O3
[MDL Number]

MFCD00020309
[Molecular Weight]

180.2
[MOL File]

21553-46-8.mol
Chemical PropertiesBack Directory
[Appearance]

white to brown crystalline solid
[Melting point ]

191-195 °C (lit.)
[Boiling point ]

253.02°C (rough estimate)
[density ]

1.1185 (rough estimate)
[refractive index ]

1.5392 (estimate)
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

soluble in Methanol
[form ]

Crystalline Solid
[pka]

4.61±0.10(Predicted)
[color ]

White to brown
[CAS DataBase Reference]

21553-46-8(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xn
[Risk Statements ]

R22:Harmful if swallowed.
R36:Irritating to the eyes.
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
[RIDADR ]

UN 2811 6.1/PG 3
[WGK Germany ]

3
[HazardClass ]

6.1
[HS Code ]

29189900
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

3,5-Dimethyl-4-methoxybenzoic acid(21553-46-8).msds
Hazard InformationBack Directory
[Chemical Properties]

white to brown crystalline solid
[Synthesis]

3 5-DIMETHYL-4-METHOXYBENZONITRILE  97

152775-45-6

3,5-Dimethyl-4-methoxybenzoic acid

21553-46-8

General procedure for the synthesis of 3,5-dimethyl-4-methoxybenzoic acid from 4-methoxy-3,5-dimethylbenzenecarbonitrile: 4-methoxy-3,5-dimethylbenzenecarbonitrile (1664 mg) was suspended in ethanol (32 mL), to which 8M NaOH solution (163 mL) was added. The mixture was placed in a pressure reactor and the reaction was stirred at 120 °C overnight. Upon completion of the reaction, ethanol was removed by rotary evaporation. Water was added to the residue and the aqueous solution was washed with ether to remove non-polar impurities. Subsequently, the aqueous layer was acidified with concentrated hydrochloric acid to pH < 2, at which point the target product precipitated as a solid. The acidified aqueous layer was extracted with ethyl acetate and the organic phases were combined and washed sequentially with water and saturated brine. The organic layer was dried over anhydrous magnesium sulfate, filtered and concentrated to afford 3,5-dimethyl-4-methoxybenzoic acid as a white solid in 99% yield.LRMS (m/z): 181 ([M+H]+).HPLC retention time: 5.52 min (Method B).

[References]

[1] Patent: WO2011/144338, 2011, A1. Location in patent: Page/Page column 92
[2] Patent: EP2390252, 2011, A1. Location in patent: Paragraph 0449; 0450
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

3,5-Dimethyl-p-anisic acid, 98%(21553-46-8)
[Sigma Aldrich]

21553-46-8(sigmaaldrich)
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