ChemicalBook--->CAS DataBase List--->137156-41-3

137156-41-3

137156-41-3 Structure

137156-41-3 Structure
IdentificationMore
[Name]

Ethyl 1-hydroxy-1H-1,2,3-triazole-4-carboxylate
[CAS]

137156-41-3
[Synonyms]

1-Hydroxy-1H-1,2,3-triazole-5-carboxylic acid ethyl ester
Ethyl 1-hydroxy-1H-1,2,3-triazole-4-carboxylate
HOCt
HOCT [Ethyl 1-hydroxy-1H-1,2,3-triazole-4-carboxylate]
[Molecular Formula]

C5H7N3O3
[MDL Number]

29339900
[Molecular Weight]

157.13
[MOL File]

137156-41-3.mol
Chemical PropertiesBack Directory
[Melting point ]

105 °C
[Boiling point ]

339.1±34.0 °C(Predicted)
[density ]

1.49
[storage temp. ]

2-8°C
[solubility ]

Chloroform (Slightly), Methanol (Slightly)
[form ]

Solid
[pka]

6.10±0.58(Predicted)
[color ]

White to Off-White
[InChI]

InChI=1S/C5H7N3O3/c1-2-11-5(9)4-3-8(10)7-6-4/h3,10H,2H2,1H3
[InChIKey]

FIRHQRGFVOSDDY-UHFFFAOYSA-N
[SMILES]

N1(O)C=C(C(OCC)=O)N=N1
[CAS DataBase Reference]

137156-41-3(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]

Flame (GHS02)Exclamation Mark (GHS07)
GHS02,GHS07
[Signal word ]

Danger
[Hazard statements ]

H228-H315-H319-H335
[Precautionary statements ]

P210-P264-P271-P240-P261-P280-P305+P351+P338-P302+P352-P304+P340-P312-P362-P370+P378-P403+P233-P501
[HS Code ]

29339900
Hazard InformationBack Directory
[Uses]

ethyl 1-hydroxy-1H-1,2,3-triazole-4-carboxylate (HOCt) is an optimal coupling reagent used for solid phase peptide synthesis in Fmoc chemistry. It is used in combination with carbodiimide reagents, has very high coupling efficiency, and does not absorb at 302nm, thus allowing real-time monitoring of each coupling cycle in SPPS.
[References]

[1] Jiang, L., Davison, A., Tennant, G., & Ramage, R. (1998). Synthesis and application of a novel coupling reagent, ethyl 1-hydroxy-1H -1,2,3-triazole-4-carboxylate. Tetrahedron, 54 47, Pages 14233-14254. https://doi.org/10.1016/S0040-4020(98)00876-X
Spectrum DetailBack Directory
[Spectrum Detail]

Ethyl 1-hydroxy-1H-1,2,3-triazole-4-carboxylate(137156-41-3)1HNMR
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