3'-Cyano-5-(5,5-dimethyl-1,3-dioxan-2-yl)valerophenone

Catalog No. :
ACXTPI196
CAS No. :
898756-78-0
Molecular Formula :
C18H23NO3
Molecular Weight :
301.39

IUPAC Name:3-(5-(5,5-dimethyl-1,3-dioxan-2-yl)pentanoyl)benzonitrile

3'-Cyano-5-(5,5-dimethyl-1,3-dioxan-2-yl)valerophenone structure diagram
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Product Information

Product Name3'-Cyano-5-(5,5-dimethyl-1,3-dioxan-2-yl)valerophenone
IUPAC Name3-(5-(5,5-dimethyl-1,3-dioxan-2-yl)pentanoyl)benzonitrile
MDL No.MFCD03844337
Molecular FormulaC18H23NO3
Molecular Weight301.39
SMILESO=C(C1=CC=CC(C#N)=C1)CCCCC2OCC(C)(C)CO2
InChI KeyGHYAOWUJSMPQQW-UHFFFAOYSA-N
Synonym3'-CYANO-5-(5,5-DIMETHYL-1,3-DIOXAN-2-YL)VALEROPHENONE;Benzonitrile, 3-[5-(5,5-dimethyl-1,3-dioxan-2-yl)-1-oxopentyl]-
CAS No.898756-78-0

Safety Data

Pictogram
Harmful or irritant
Signal Word
Achtung
Hazard Statement(s)
H302-H315-H319-H335
Precautionary Statement(s)
P261-P280-P301+P312-P302+P352-P305+P351+P338

Synthetic Route by SureRoute

1. ACXTPI196 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
  2. Then
  3. ACXTPI196 route product structure diagram
    ACXTPI196898756-78-0
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2. ACXTPI196 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. ACXTPI196 route product structure diagram
    ACXTPI196898756-78-0
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