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7-Oxa-2-azaspiro[3.5]nonane oxalate

Catalog Number: EVT-3160564

CAS Number: 1408076-09-4

Molecular Formula: C9H15NO5

Molecular Weight: 217.22

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Product Introduction

Description

7-Oxa-2-azaspiro[3.5]nonane oxalate is a chemical compound with the linear formula C7H13NO.C2H2O4. It has a molecular weight of 217.22.

Synthesis Analysis

The synthesis of 2-oxa-7-azaspiro[3.5]nonane is described in a study. The spirocyclic oxetanes were converted into o-cycloalkylaminoacetanilides for oxidative cyclizations using Oxone® in formic acid.

Molecular Structure Analysis

The InChI code for 7-oxa-2-azaspiro[3.5]nonane oxalate is 1S/C7H13NO.C2H2O4/c1-3-9-4-2-7(1)5-8-6-7;3-1(4)2(5)6/h8H,1-6H2;(H,3,4)(H,5,6). The SMILES string is OC(=O)C(O)=O.C1CC2(CC1)COC2.

Chemical Reactions Analysis

2-Oxa-7-azaspiro[3.5]nonane is used in the preparation of benzothienoazepine compounds as respiratory syncytial virus RNA polymerase inhibitors.

Physical And Chemical Properties Analysis

The molecular weight of 7-Oxa-2-azaspiro[3.5]nonane oxalate is 217.22 g/mol. The compound is solid in form and is stored at temperatures between 2-8°C. The InChI key is KFMUWBFXUTUOEX-UHFFFAOYSA-N.

Properties

CAS Number

1408076-09-4

Product Name

7-Oxa-2-azaspiro[3.5]nonane oxalate

IUPAC Name

7-oxa-2-azaspiro[3.5]nonane;oxalic acid

Molecular Formula

C9H15NO5

Molecular Weight

217.22

InChI

InChI=1S/C7H13NO.C2H2O4/c1-3-9-4-2-7(1)5-8-6-7;3-1(4)2(5)6/h8H,1-6H2;(H,3,4)(H,5,6)

InChI Key

VSMBQNRXPCQSJV-UHFFFAOYSA-N

SMILES

C1COCCC12CNC2.C(=O)(C(=O)O)O

Canonical SMILES

C1COCCC12CNC2.C(=O)(C(=O)O)O

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