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????-5-??????

????-5-??????
????-5-?????? ??? ???
?? ??:
21169-71-1
???:
????-5-??????
???(??):
????-5-??????;????-5-?????
???:
ISOXAZOLE-5-CARBOXYLIC ACID
???(??):
AKOS PAO-1371;BUTTPARK 27\08-41;5-Carboxyisoxazole;TIMTEC-BB SBB004319;5-Carboxy-1,2-oxazole;Isoxazol-5-carbonsaeure;Isoxazole 5-formic acid;Isozole-5-carboxylic acid;5-Isoxazolecarboxylic acid;Isoxazol-5-carboxylic acid
CBNumber:
CB1758728
???:
C4H3NO3
??? ??:
113.07
MOL ??:
21169-71-1.mol

????-5-?????? ??

???
144-148 °C(lit.)
?? ?
211.74°C (rough estimate)
??
1.5808 (rough estimate)
???
1.4543 (estimate)
?? ??
Keep in dark place,Sealed in dry,Room Temperature
??? ??
??
?? ?? (pKa)
2.29±0.10(Predicted)
??
?? ???
???
?? ?? ?????.
??
Moisture Sensitive
InChI
InChI=1S/C4H3NO3/c6-4(7)3-1-2-5-8-3/h1-2H,(H,6,7)
InChIKey
MIIQJAUWHSUTIT-UHFFFAOYSA-N
SMILES
O1C(C(O)=O)=CC=N1
CAS ??????
21169-71-1(CAS DataBase Reference)
??
  • ?? ? ?? ??
  • ?? ? ???? ?? (GHS)
??? ?? Xi
?? ???? ?? 36/37/38
????? 24/25-25-24-36-26
WGK ?? 3
?? ?? IRRITANT
HS ?? 29349990
???? ??? 13 - Non Combustible Solids
????(GHS): Exclamation Mark (GHS07)
?? ?: Warning
??·?? ??:
?? ??·?? ?? ?? ?? ?? ?? ? ?? ?? P- ??
H315 ??? ??? ??? ????? ?? ????? ?? 2 ?? P264, P280, P302+P352, P321,P332+P313, P362
H319 ?? ?? ??? ??? ?? ? ?? ?? ??? ?? ?? 2A ?? P264, P280, P305+P351+P338,P337+P313P
H335 ?? ???? ??? ? ?? ?? ???? ?? - 1? ??;???? ?? ?? 3 ??
??????:
P261 ??·?·??·???·??·...·????? ??? ????.
P304+P340 ???? ??? ??? ?? ??? ??? ???? ?? ??? ??? ????.
P305+P351+P338 ?? ??? ? ?? ?? ???? ????. ???? ?????? ?????. ?? ????.
P405 ???? ?????.
NFPA 704
1
0 0

????-5-?????? C??? ??, ??, ??

??? ??

slightly yellow powder

??

Reaction conditions were found to allow the exclusive formation of isoxazole-5-carboxylic acid derivatives by conjugate addition, in acidic medium, of hydroxylamine to β-alkoxyvinyl trichloromethyl ketone in synthesis and reactivity of isoxazoles. Isoxazole-5-carboxylic acid participates in the Synthesis and evaluation of acylguanidine FXa inhibitors. 1, 1, 1-trichloro-4-methoxy-3-penten-2-one postulated in the preparation of isoxazole-5-carboxylic acid from trichloroacetyl chloride, ethyl vinyl ether and hydroxylamine is developed in a fully saturated nitrogen atom theerefore there is no possibility of conjugation with 4- substituents.

?? ??

Isoxazole-5-carboxylic acid can be obtained via dehydration of 5-trichloromethylisoxazole.

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