Quinuclidinyl benzilate, (+)-

Base Information

Chemical Name:Quinuclidinyl benzilate, (+)-
CAS No.:62869-68-5
Molecular Formula:C21H23NO3
Molecular Weight:337.419
Hs Code.:
UNII:VH47AP03H6
DSSTox Substance ID:DTXSID00863910
Nikkaji Number:J419.450K
Wikidata:Q27291832
ChEMBL ID:CHEMBL1788199

Synonyms:(S)-3-Quinuclidinyl benzilate;(+)-3-Quinuclidinyl benzilate;(S)-(+)-Qnb;Quinuclidinyl benzilate, (+)-;UNII-VH47AP03H6;VH47AP03H6;(+)-quinuclidinyl benzilate;62869-68-5;CHEMBL1788199;Benzeneacetic acid, alpha-hydroxy-alpha-phenyl-, (3S)-1-azabicyclo(2.2.2)oct-3-yl ester;L-QUINUCLIDINYL BENZILATE;DTXSID00863910;BDBM50367742;QUINUCLIDINYL BENZILATE, (S)-;Q27291832;BENZENEACETIC ACID, .ALPHA.-HYDROXY-.ALPHA.-PHENYL-, (3S)-1-AZABICYCLO(2.2.2)OCT-3-YL ESTER;BENZENEACETIC ACID, .ALPHA.-HYDROXY-.ALPHA.-PHENYL-, 1-AZABICYCLO(2.2.2)OCT-3-YL ESTER, (S)-

Suppliers and Price of Quinuclidinyl benzilate, (+)-

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
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Total 0 raw suppliers

Chemical Property of Quinuclidinyl benzilate, (+)-

Chemical Property:

PSA：49.77000
LogP:2.49780
XLogP3:3.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:337.16779360
Heavy Atom Count:25
Complexity:442

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1CN2CCC1C(C2)OC(=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)O
Isomeric SMILES:C1CN2CCC1[C@@H](C2)OC(=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)O

Technology Process of Quinuclidinyl benzilate, (+)-

There total 2 articles about Quinuclidinyl benzilate, (+)- which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 33.0%

: 34583-34-1
(S)-3-quinuclidinol

: 76-93-7
Benzilic acid

: 62869-68-5
(S)-3-(1-azabicyclo<2.2.2>octyl) α-hydroxy-α,α-diphenylacetate

Guidance literature:: Benzilic acid; With 1,1'-carbonyldiimidazole; In N,N-dimethyl-formamide; at 20 - 80 ℃; for 0.5h;

(S)-3-quinuclidinol; In N,N-dimethyl-formamide; at 80 ℃; for 2h;
DOI:10.1002/jlcr.460

Reference yield:

: 3684-26-2,25333-42-0,34583-34-1,1619-34-7
(S)-quinuclidin-3-ol

: 52182-15-7
ethyl benzilate

: 62869-68-5
(S)-3-(1-azabicyclo<2.2.2>octyl) α-hydroxy-α,α-diphenylacetate

Guidance literature:: With sodium; Yield given. Multistep reaction; 1) benzene, 30 min, reflux; 2) benzene, reflux, 30 min;
DOI:10.1021/jm00402a035