ChemicalBook--->CAS DataBase List--->1136-45-4

1136-45-4

1136-45-4 Structure

1136-45-4 Structure
IdentificationMore
[Name]

5-Methyl-3-phenylisoxazole-4-carboxylic acid
[CAS]

1136-45-4
[Synonyms]

5-METHYL-3-PHENYL-4-ISOXAZOLECARBOXYLIC ACID
5-METHYL-3-PHENYL-4-ISOXAZOLIC ACID
5-METHYL-3-PHENYLISOXAZOLE-4-CARBOXYLIC ACID
AKOS BBS-00003754
RARECHEM AL BE 0514
TIMTEC-BB SBB010075
3-phenyl-5-methylisoxazol-4-carbonsaeure
5-methyl-3-phenyl-4-isoxazolecarboxylicaci
5-methyl-3-phenyl-isoxazole-4-carboxylicaci
PMI-acid
5-Methyl-3-phenylisoxazole-4-caroxylic acid
5-METHYL-3-PHENYLISOXAZOLE-4-CARBOXYLIC&
3-PHENYL-5-METHYL-ISOXAZOLE-4-CARBOXYLIC ACID
5-Methyl-3-Phenyl-Isoxazol-4-Carboxylic Acid
4-Carboxy-5-methyl-3-phenylisoxazole.
3-PHENYL-5-METHYL-4-ISOXAZOLICACID
4-Isoxazolecarboxylic acid, 5-methyl-3-phenyl-
[EINECS(EC#)]

214-497-9
[Molecular Formula]

C11H9NO3
[MDL Number]

MFCD00003153
[Molecular Weight]

203.19
[MOL File]

1136-45-4.mol
Chemical PropertiesBack Directory
[Appearance]

Cream to pale brown solid
[Melting point ]

192-194 °C(lit.)
[Boiling point ]

341.49°C (rough estimate)
[density ]

1.2621 (rough estimate)
[refractive index ]

1.4950 (estimate)
[storage temp. ]

Keep in dark place,Sealed in dry,Room Temperature
[solubility ]

DMSO (Slightly), Methanol (Very Slightly)
[form ]

Solid
[pka]

2.11±0.32(Predicted)
[color ]

White to Off-White
[BRN ]

164939
[CAS DataBase Reference]

1136-45-4(CAS DataBase Reference)
[EPA Substance Registry System]

1136-45-4(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R22:Harmful if swallowed.
[Safety Statements ]

S24/25:Avoid contact with skin and eyes .
S36/37:Wear suitable protective clothing and gloves .
S22:Do not breathe dust .
[WGK Germany ]

3
[RTECS ]

NY2750000
[TSCA ]

Yes
[HazardClass ]

IRRITANT
[HS Code ]

2934990002
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Sodium-->Ethyl acetoacetate-->N-Chlorosuccinimide-->Methyl acetoacetate-->Benzaldoxime
[Preparation Products]

5-Methyl-3-phenylisoxazole-4-carbonyl chloride-->N,5-dimethyl-3-phenylisoxazole-4-carboxamide)-->3-(3-methoxyphenyl)-5-methylisoxazole-4-carboxylic acid
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

5-Methyl-3-phenylisoxazole-4-carboxylic acid(1136-45-4).msds
Hazard InformationBack Directory
[Chemical Properties]

Cream to pale brown solid
[Uses]

5-Methyl-3-phenylisoxazole-4-carboxylic acid was used in preparation of intermediates for the synthesis of penicillin. It was used for acylation during solid support synthesis of the isoxazolopyridone derivatives.
Spectrum DetailBack Directory
[Spectrum Detail]

5-Methyl-3-phenylisoxazole-4-carboxylic acid(1136-45-4)MS
5-Methyl-3-phenylisoxazole-4-carboxylic acid(1136-45-4)1HNMR
5-Methyl-3-phenylisoxazole-4-carboxylic acid(1136-45-4)13CNMR
5-Methyl-3-phenylisoxazole-4-carboxylic acid(1136-45-4)IR1
5-Methyl-3-phenylisoxazole-4-carboxylic acid(1136-45-4)IR2
5-Methyl-3-phenylisoxazole-4-carboxylic acid(1136-45-4)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

5-Methyl-3-phenylisoxazole-4-carboxylic acid, 99%(1136-45-4)
[Alfa Aesar]

5-Methyl-3-phenylisoxazole-4-carboxylic acid, 99%(1136-45-4)
[Sigma Aldrich]

1136-45-4(sigmaaldrich)
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