ChemicalBook--->CAS DataBase List--->179162-55-1

179162-55-1

179162-55-1 Structure

179162-55-1 Structure
IdentificationBack Directory
[Name]

4-(5-(4-(pentyloxy)phenyl)isoxazol-3-yl)benzoic acid
[CAS]

179162-55-1
[Synonyms]

Micafungin Impurity 8
Micafungin Intermediate
Micafungin Intermediate 2
4-(5-(4-(pentyloxy)phenyl)isoxazol-3-yl)benzoic acid
4-[5-[4-(Pentyloxy)phenyl]-3-isoxazolyl]benzoic acid
4-[5-(4-Pentyloxy-phenyl)-isoxazol-2-yl]-benzoic acid
Benzoic acid, 4-[5-[4-(pentyloxy)phenyl]-3-isoxazolyl]-
4-{5-[4-(pentyloxy)phenyl]-1,2-oxazol-3-yl}benzoic acid
4-(5-{4-[(Pent-1-yl)oxy]phenyl}isoxazol-3-yl)benzoicacid
4-(5-(4-(Pentyloxy)phenyl)isoxazol-3-yl)benzoic acid Micafungin InterMediate
[Molecular Formula]

C21H21NO4
[MDL Number]

MFCD20267356
[MOL File]

179162-55-1.mol
[Molecular Weight]

351.396
Chemical PropertiesBack Directory
[Melting point ]

271-273oC
[Boiling point ]

555.6±50.0 °C(Predicted)
[density ]

1.176±0.06 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

Acetone (Slightly, Heated), DMSO (Slightly)
[form ]

Solid
[pka]

3.72±0.10(Predicted)
[color ]

White
[InChI]

InChI=1S/C21H21NO4/c1-2-3-4-13-25-18-11-9-16(10-12-18)20-14-19(22-26-20)15-5-7-17(8-6-15)21(23)24/h5-12,14H,2-4,13H2,1H3,(H,23,24)
[InChIKey]

PDTXSIGPZDVVIX-UHFFFAOYSA-N
[SMILES]

C(O)(=O)C1=CC=C(C2C=C(C3=CC=C(OCCCCC)C=C3)ON=2)C=C1
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302+H312+H332-H315-H319-H335
[Precautionary statements ]

P261-P271-P280
[HS Code ]

2934999090
Hazard InformationBack Directory
[Uses]

4-[5-(4-Pentyloxyphenyl)isoxazol-3-yl]benzoic Acidis used to optimize the side chain of the natural product FR901379.
Spectrum DetailBack Directory
[Spectrum Detail]

4-(5-(4-(pentyloxy)phenyl)isoxazol-3-yl)benzoic acid(179162-55-1)1HNMR
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