3-Quinuclidinyl benzilate

Name: 3-Quinuclidinyl benzilate
Brand: Vaqora Chemicals
SKU: VQ-013035

About 3-Quinuclidinyl benzilate

Listed under CAS 6581-06-2, 3-Quinuclidinyl benzilate is a process intermediate or related compound of Oxybutynin available from Vaqora Chemicals. The compound has the formula C21H23NO3, corresponding to a molecular weight of 337.4 g/mol. The IUPAC name is 1-azabicyclo[2.2.2]octan-3-yl 2-hydroxy-2,2-diphenylacetate. It is also known as 3-Hydroxyquinuclidine benzilate or 3-Quinuclidyl benzilate.

The product is provided as a solid. Store the standard in its sealed vial, protected from light and moisture, and follow the storage condition printed on the COA. Under GHS it is labelled “Danger”, so handle it with suitable PPE and consult the SDS.

Process chemists and analysts use it when developing synthetic routes to Oxybutynin, tracking process-related impurities and validating analytical methods. Typical end-use sectors are pharmaceutical manufacturing and academic and industrial research.

We offer 3-Quinuclidinyl benzilate in 10 mg, 25 mg, 50 mg and 100 mg packs with a batch-specific COA, and ship to customers worldwide. Stock is available for quick dispatch.

Typical applications

API route development
Impurity fate & purge studies
Analytical method development

Industries

Related to Oxybutynin

View every impurity, metabolite and intermediate we list for Oxybutynin.

Oxybutynin impurities

Specifications & identifiers

Chemical identifiers
Product name	3-Quinuclidinyl benzilate
Catalogue No.	VQ-013035
CAS Number	6581-06-2
IUPAC name	1-azabicyclo[2.2.2]octan-3-yl 2-hydroxy-2,2-diphenylacetate
Molecular formula	C₂₁H₂₃NO₃
Molecular weight	337.4 g/mol
Exact mass	337.1678
Grade	Reference Standard
HSN code	2933
InChIKey	HGMITUYOCPPQLE-UHFFFAOYSA-N
SMILES	C1CN2CCC1C(C2)OC(=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)O
PubChem CID	23056

Physical properties
Physical form	Solid
LogP (XLogP3)	3.3
H-bond donors / acceptors	1 / 4
TPSA	49.8 Å²
Synonyms	3-Hydroxyquinuclidine benzilate, 2,2-Diphenyl-2-hydroxyacetic acid 3-quinuclidinyl ester, 3-Quinuclidyl benzilate, 3-Oxyquinuclidine benzilate, 3-Quinuclidinol benzilate, Benzeneacetic acid, alpha-hydroxy-alpha-phenyl-, 1-azabicyclo(2.2.2)oct-3-yl ester, Benzilate, Quinuclidinyl, Benzeneacetic acid, alpha-hydroxy-alpha-phenyl-, 1-azabicyclo[2.2.2]oct-3-yl ester, Quinuclidinyl Benzilate, 3-quinuclidinyl-benzilate, [3H]QNB, (+-)-3-Quinuclidyl benzilate

Safety & hazard information (GHS)

Toxic

Signal word: Danger

Hazard statements

H300Fatal if swallowed

Precautionary statements: P264, P270, P301 + P316, P321, P330, P405, P501

Classification is indicative (aggregated GHS notifications) and may vary by grade and concentration. Always refer to the SDS supplied with your lot.

Documents

Safety Data Sheet (SDS)16-section GHS · on request Certificate of AnalysisTypical / batch COA · on request Specification sheetTDS / MOA · on request

Frequently asked questions

What is the CAS number of 3-Quinuclidinyl benzilate?

The CAS Registry Number of 3-Quinuclidinyl benzilate is 6581-06-2. It is also known as 3-Hydroxyquinuclidine benzilate, 2,2-Diphenyl-2-hydroxyacetic acid 3-quinuclidinyl ester, 3-Quinuclidyl benzilate.

What is the molecular formula and molecular weight of 3-Quinuclidinyl benzilate?

3-Quinuclidinyl benzilate has the molecular formula C21H23NO3 and a molecular weight of 337.4 g/mol. Its IUPAC name is 1-azabicyclo[2.2.2]octan-3-yl 2-hydroxy-2,2-diphenylacetate.

What is 3-Quinuclidinyl benzilate used for?

3-Quinuclidinyl benzilate is supplied as a characterised reference material related to Oxybutynin. It is used for analytical method development and validation (AMV), impurity profiling, stability studies and quality control, and in ANDA/DMF regulatory filings.

Which grade and pack sizes of 3-Quinuclidinyl benzilate can I order?

We supply 3-Quinuclidinyl benzilate in Reference Standard grade, in 10 mg, 25 mg, 50 mg, 100 mg packs. Larger bulk quantities and custom packing are quoted on request.

Do you provide a COA and SDS with 3-Quinuclidinyl benzilate?

Yes. Every lot of 3-Quinuclidinyl benzilate is shipped with a batch-specific Certificate of Analysis, and a 16-section GHS Safety Data Sheet is provided with the quotation and the shipment.

Can 3-Quinuclidinyl benzilate be shipped internationally?

Yes. 3-Quinuclidinyl benzilate is classified as hazardous, so it is packed in UN-approved packaging and shipped as dangerous goods under IATA/IMDG rules. We export worldwide on EXW, FOB, CIF and DAP terms.