(S)-2-(tert-Butoxycarbonyl)-2-azabicyclo[2.2.2]octane-3-carboxylic acid

Base Information

Chemical Name:(S)-2-(tert-Butoxycarbonyl)-2-azabicyclo[2.2.2]octane-3-carboxylic acid
CAS No.:109523-16-2
Molecular Formula:C13H21NO4
Molecular Weight:255.314
Hs Code.:
DSSTox Substance ID:DTXSID001154541
Mol file:109523-16-2.mol

Synonyms:109523-16-2;(S)-2-(tert-Butoxycarbonyl)-2-azabicyclo[2.2.2]octane-3-carboxylic acid;SCHEMBL887944;SCHEMBL23982846;(3S)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[2.2.2]octane-3-carboxylic acid;RRRWAYWNXBSUFV-RTBKNWGFSA-N;DTXSID001154541;2(S)-Aza-bicyclo[2.2.2]octane-2,3-dicarboxylic acid 2-tert-butyl ester;AKOS026739718;1987261-68-6;AM805501;AS-78399;W14520;EN300-1071336;EN300-1589857;A903573;(3S)-2-(tert-butoxycarbonyl)-2-azabicyclo[2.2.2]octane-3-carboxylic acid;(S)-2-(tert-Butoxycarbonyl)-2-azabicyclo[2.2.2]octane-3-carboxylicacid;2-(1,1-Dimethylethyl) (2S)-2-azabicyclo[2.2.2]octane-2,3-dicarboxylate;(1R,3S,4R)-2-(tert-butoxycarbonyl)-2-azabicyclo[2.2.2]octane-3-carboxylic acid;(1R,3S,4S)-2-(tert-butoxycarbonyl)-2-azabicyclo[2.2.2]octane-3-carboxylic acid;(1R,3S,4s)-2-[(tert-butoxy)carbonyl]-2-azabicyclo[2.2.2]octane-3-carboxylic acid;(3S)-2-(TERT-BUTOXYCARBONYL)-2-AZABICYCLO[2.2.2]OCTANE-3-CARBOXYLICACID;(3S)-2-[(tert-butoxy)carbonyl]-2-azabicyclo[2.2.2]octane-3-carboxylic acid

Suppliers and Price of (S)-2-(tert-Butoxycarbonyl)-2-azabicyclo[2.2.2]octane-3-carboxylic acid

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
Packaging
price

TRC
(1R,3S,4R)-2-(tert-Butoxycarbonyl)-2-azabicyclo[2.2.2]octane-3-carboxylicAcid
25mg
$ 330.00

Crysdot
(S)-2-(tert-Butoxycarbonyl)-2-azabicyclo[2.2.2]octane-3-carboxylicacid 95+%
1g
$ 980.00

ACHEMBLOCK
(3S)-2-[(tert-butoxy)carbonyl]-2-azabicyclo[2.2.2]octane-3-carboxylicacid 97%
250MG
$ 430.00

Total 10 raw suppliers

Chemical Property of (S)-2-(tert-Butoxycarbonyl)-2-azabicyclo[2.2.2]octane-3-carboxylic acid

Chemical Property:

PSA：66.84000
LogP:2.18700
XLogP3:2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:255.14705815
Heavy Atom Count:18
Complexity:353

Purity/Quality:

99%, ^*data from raw suppliers

(1R,3S,4R)-2-(tert-Butoxycarbonyl)-2-azabicyclo[2.2.2]octane-3-carboxylicAcid ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)(C)OC(=O)N1C2CCC(C1C(=O)O)CC2
Isomeric SMILES:CC(C)(C)OC(=O)N1[C@@H](C2CCC1CC2)C(=O)O

Technology Process of (S)-2-(tert-Butoxycarbonyl)-2-azabicyclo[2.2.2]octane-3-carboxylic acid

There total 5 articles about (S)-2-(tert-Butoxycarbonyl)-2-azabicyclo[2.2.2]octane-3-carboxylic acid 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: 99.0%

: (S)-2-azabicyclo[2.2.2]octane-3-carboxylic acid hydrochloride

: 24424-99-5
di-tert-butyl dicarbonate

: 109523-16-2
(2S)-3-tert-butoxycarbonyl-3-azabicyclo[2.2.2]octane-2-carboxylic acid

Guidance literature:: With sodium hydroxide; In 1,4-dioxane; at 0 - 23 ℃; for 5h;
DOI:10.1016/j.bmc.2006.01.067

Reference yield: 95.0%

: C₁₅H₂₅NO₄

: 109523-16-2
(2S)-3-tert-butoxycarbonyl-3-azabicyclo[2.2.2]octane-2-carboxylic acid

Guidance literature:: C₁₅H₂₅NO₄; With lithium hydroxide; In 1,4-dioxane; water; at 60 ℃; for 36h;

With hydrogenchloride; In 1,4-dioxane; water;

Reference yield:

: 24424-99-5
di-tert-butyl dicarbonate

: 109523-16-2
(2S)-3-tert-butoxycarbonyl-3-azabicyclo[2.2.2]octane-2-carboxylic acid

Guidance literature:: ethyl (3S)-2-azabicyclo[2.2.2]octane-3-carboxylate; With sodium hydroxide; water; In 1,4-dioxane; at 20 ℃; for 1h;

di-tert-butyl dicarbonate; In 1,4-dioxane; at 20 ℃;