Diethyl 2,2'-((((2-(4-(tert-butyl)phenyl)-6-cyano-7-(((2,6-di-tert-butyl-4-methylcyclohexyl)oxy)carbonyl)-3H-pyrrolo[1,2-b][1,2,4]triazol-5-yl)oxy)carbonyl)azanediyl)diacetate

Catalog No. :
ACWDWS698
CAS No. :
444065-11-6
Molecular Formula :
C41H57N5O8
Molecular Weight :
747.93

IUPAC Name:diethyl 2,2'-((((2-(4-(tert-butyl)phenyl)-6-cyano-7-(((2,6-di-tert-butyl-4-methylcyclohexyl)oxy)carbonyl)-3H-pyrrolo[1,2-b][1,2,4]triazol-5-yl)oxy)carbonyl)azanediyl)diacetate

Diethyl 2,2'-((((2-(4-(tert-butyl)phenyl)-6-cyano-7-(((2,6-di-tert-butyl-4-methylcyclohexyl)oxy)carbonyl)-3H-pyrrolo[1,2-b][1,2,4]triazol-5-yl)oxy)carbonyl)azanediyl)diacetate structure diagram
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Product Information

Product NameDiethyl 2,2'-((((2-(4-(tert-butyl)phenyl)-6-cyano-7-(((2,6-di-tert-butyl-4-methylcyclohexyl)oxy)carbonyl)-3H-pyrrolo[1,2-b][1,2,4]triazol-5-yl)oxy)carbonyl)azanediyl)diacetate
IUPAC Namediethyl 2,2'-((((2-(4-(tert-butyl)phenyl)-6-cyano-7-(((2,6-di-tert-butyl-4-methylcyclohexyl)oxy)carbonyl)-3H-pyrrolo[1,2-b][1,2,4]triazol-5-yl)oxy)carbonyl)azanediyl)diacetate
Molecular FormulaC41H57N5O8
Molecular Weight747.93
SMILESO=C(C(C(C#N)=C1OC(N(CC(OCC)=O)CC(OCC)=O)=O)=C2N1NC(C3=CC=C(C(C)(C)C)C=C3)=N2)OC4C(C(C)(C)C)CC(C)CC4C(C)(C)C
InChI KeyBSFARPZVGXSFEA-UHFFFAOYSA-N
Synonym1H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylic acid, 5-[[[bis(2-ethoxy-2-oxoethyl)amino]carbonyl]oxy]-6-cyano-2-[4-(1,1-dimethylethyl)phenyl]-2,6-bis(1,1-dimethylethyl)-4-methylcyclohexyl ester;2-(4-tert-butylphenyl)-6-cyano-5-[bis(ethoxycarbonylmethyl)carbamoyloxy]-1H-pyrrolo[1,2-b][1,2,4] triazole-7-carboxylic acid 2,6-di-tert-butyl-4-methylcyclohexylester;3H-Pyrrolo[1,2-b][1,2,4]triazole-7-carboxylic acid, 5-[[[bis(2-ethoxy-2-oxoethyl)amino]carbonyl]oxy]-6-cyano-2-[4-(1,1-dimethylethyl)phenyl]-, 2,6-bis(1,1-dimethylethyl)-4-methylcyclohexyl ester
CAS No.444065-11-6

Safety Data

Pictogram
Harmful or irritant
Signal Word
Achtung
Hazard Statement(s)
H302-H315-H319-H335
Precautionary Statement(s)
P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501

Synthetic Route by SureRoute

1. ACWDWS698 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
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  2. Plus
  3. reactant_2 route compound structure diagram
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  4. Then
  5. ACWDWS698 route product structure diagram
    ACWDWS698444065-11-6
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2. ACWDWS698 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
  2. Plus
  3. reactant_2 route compound structure diagram
    --
  4. Then
  5. ACWDWS698 route product structure diagram
    ACWDWS698444065-11-6
Inquiry

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