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Ethyl 3-hydroxyquinuclidine-3-carboxylate is a chemical compound with the molecular formula C11H18NO3. It is a derivative of quinolizidine, a bicyclic amine with a piperidine ring fused to a pyridine ring. ethyl 3-hydroxyquinuclidine-3-carboxylate is characterized by the presence of a hydroxyl group (-OH) at the 3-position and a carboxylate group (-COO-) at the 3-position as well, which is esterified with an ethyl group (-CH2CH3). It is a white crystalline solid and is used as an intermediate in the synthesis of various pharmaceuticals and agrochemicals due to its unique structure and reactivity. The compound's properties, such as its ability to form salts and its potential applications in drug development, make it an important entity in the field of organic chemistry.

6238-31-9

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6238-31-9 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 6238-31-9 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 6,2,3 and 8 respectively; the second part has 2 digits, 3 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 6238-31:
(6*6)+(5*2)+(4*3)+(3*8)+(2*3)+(1*1)=89
89 % 10 = 9
So 6238-31-9 is a valid CAS Registry Number.
InChI:InChI=1/C26H21N3O7/c1-34-20-9-7-17(8-10-20)25(30)28-23(26(31)27-16-22-6-3-13-35-22)15-21-11-12-24(36-21)18-4-2-5-19(14-18)29(32)33/h2-15H,16H2,1H3,(H,27,31)(H,28,30)/b23-15-

6238-31-9SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name (+/-) ethyl 3-hydroxy-1-azabicyclo[2.2.2]octane-3-carboxylate

1.2 Other means of identification

Product number -
Other names 3-Ethoxycarbonyl-3-hydroxychinuclidin

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:6238-31-9 SDS

6238-31-9Downstream Products

6238-31-9Relevant academic research and scientific papers

Structural study of (±) alkyl 3-hydroxy-1-azabicyclo [2.2.2] octane-3-carboxylates

Arias-Pérez,Cosme,Gálvez,Sanz-Aparicio,Fonseca,Bellanato

, p. 171 - 179 (2003)

A series of α-hydroxyesters derived from (±) 3-hydroxy-l-azabicyclo[2.2.2]octane-3-carboxylic acid was synthesised and studied by IR and NMR spectroscopy. The combined use of 1H-1H COSY and 1H-13C correlation spectra of these compounds helped in the unambiguous assignments of the bicyclic carbon and proton resonances. The crystal structure of ethyl (±) 3-hydroxy-1-azabicyclo [2.2.2] octane-3-carboxylate was determined by X-ray diffraction.

Synthesis and Structural Study of Quinuclidine Spiro Derivatives

Trigo, G. G.,Martinez, M.,Galvez, E.,Cabezas, R.

, p. 1507 - 1511 (2007/10/02)

The synthesis of quinuclidine-3-spiro-5'-oxazolidine-2',4'-dione, quinuclidine-3-spiro-5'-hydantoin, and some 3'-derivatives is described.Based on the data from 1H and 13C-nmr spectra the structure of the above mentioned compounds is established.A relationship between second order effects in 13C-nmr spectra and H-C-C-H dihedral angles is deduced.

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