Benzyl 4-chloro-2-(methylsulfonyl)-8,9-dihydro-5H-pyrimido[4,5-d]azepine-7(6H)-carboxylate

Catalog No. :
ACPRIF332
CAS No. :
1422344-53-3
Molecular Formula :
C17H18ClN3O4S
Molecular Weight :
395.87

IUPAC Name:benzyl 4-chloro-2-(methylsulfonyl)-5,6,8,9-tetrahydro-7H-pyrimido[4,5-d]azepine-7-carboxylate

Benzyl 4-chloro-2-(methylsulfonyl)-8,9-dihydro-5H-pyrimido[4,5-d]azepine-7(6H)-carboxylate structure diagram
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Product Information

Product NameBenzyl 4-chloro-2-(methylsulfonyl)-8,9-dihydro-5H-pyrimido[4,5-d]azepine-7(6H)-carboxylate
IUPAC Namebenzyl 4-chloro-2-(methylsulfonyl)-5,6,8,9-tetrahydro-7H-pyrimido[4,5-d]azepine-7-carboxylate
Molecular FormulaC17H18ClN3O4S
Molecular Weight395.87
SMILESO=C(N1CCC2=NC(S(=O)(C)=O)=NC(Cl)=C2CC1)OCC3=CC=CC=C3
InChI KeyFZUCDEGMRRBBNF-UHFFFAOYSA-N
SynonymBenzyl 4-Chloro-2-(Methylsulfonyl)-8,9-Dihydro-5H-Pyrimido[4,5-D]Azepine-7(6H)-Carboxylate;Benzyl 4-Chloro-2-(Methylsulfonyl)-8,9-Dihydro-5H-Pyrimido[4,5-D]Azepine-7(6H)-Carboxylate(WX141309);7H-Pyrimido[4,5-d]azepine-7-carboxylic acid, 4-chloro-5,6,8,9-tetrahydro-2-(methylsulfonyl)-, phenylmethyl ester
CAS No.1422344-53-3

Safety Data

Pictogram
Harmful or irritant
Signal Word
Warning
Hazard Statement(s)
H302
Precautionary Statement(s)
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P330-P362-P403+P233-P501

Synthetic Route by SureRoute

1. ACPRIF332 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. ACPRIF332 route product structure diagram
    ACPRIF3321422344-53-3
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2. ACPRIF332 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. ACZHPB257 route compound structure diagram
    ACZHPB25720277-69-4 In Stock
  2. Plus
  3. reactant_2 route compound structure diagram
    --
  4. Then
  5. ACPRIF332 route product structure diagram
    ACPRIF3321422344-53-3
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