ChemicalBook--->CAS DataBase List--->55289-06-0

55289-06-0

55289-06-0 Structure

55289-06-0 Structure
IdentificationMore
[Name]

3-Methoxy-2-methylbenzoic acid
[CAS]

55289-06-0
[Synonyms]

3-METHOXY-2-METHYLBENZOIC ACID
3-METHOXY-O-TOLUIC ACID
2-Methyl-3-Methoxy Benzoic Acid
3-Methoxy-o-toluic acid~2-Methyl-m-anisic acid
2-Methyl-m-anisicacid
[EINECS(EC#)]

1533716-785-6
[Molecular Formula]

C9H10O3
[MDL Number]

MFCD02094039
[Molecular Weight]

166.17
[MOL File]

55289-06-0.mol
Chemical PropertiesBack Directory
[Melting point ]

147.0 to 151.0 °C
[Boiling point ]

138 °C(Press: 16 Torr)
[density ]

1.168±0.06 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,Room Temperature
[form ]

powder to crystal
[pka]

3.83±0.10(Predicted)
[color ]

White to Yellow to Orange
[Water Solubility ]

Soluble in methanol. Insoluble in water.
[BRN ]

510395
[InChI]

InChI=1S/C9H10O3/c1-6-7(9(10)11)4-3-5-8(6)12-2/h3-5H,1-2H3,(H,10,11)
[InChIKey]

JPCISVSOTKMFPG-UHFFFAOYSA-N
[SMILES]

C(O)(=O)C1=CC=CC(OC)=C1C
[CAS DataBase Reference]

55289-06-0(CAS DataBase Reference)
Safety DataBack Directory
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

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

WGK 3
[TSCA ]

TSCA listed
[HS Code ]

2916399090
[Storage Class]

11 - Combustible Solids
Raw materials And Preparation ProductsBack Directory
[Raw materials]

POTASSIUM CYANIDE-->2,6-Dichlorotoluene-->3-Amino-2-methylbenzoic acid
[Preparation Products]

Methoxyfenozide-->3-Methoxy-4-methylbenzoic acid-->6-Bromo-3-methoxy-2-methylbenzoic acid
Hazard InformationBack Directory
[Chemical Properties]

This product is solid and insoluble in water.
[Uses]

3-Methoxy-2-methylbenzoic acid is used as a Corey-Bakshi-Shibata oxazaborolidine catalyst for asymmetric reduction and asymmetric synthesis. It is used in the asymmetric reduction of prochiral ketones. Other applications include the enantioselective synthesis of α-hydroxy acids, α-amino acids, C2 symmetrical ferrocenyl diols and propargyl alcohols. It is also used in desymmetrizing reduction leading to (S)-4-hydroxycyclohexenone.
Spectrum DetailBack Directory
[Spectrum Detail]

3-Methoxy-2-methylbenzoic acid(55289-06-0)1HNMR
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

3-Methoxy-2-methylbenzoic acid, 97%(55289-06-0)
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