[ CAS No. 105786-95-6 ] 4,5,6,7-Tetrahydro-[1,2,3]oxadiazolo[3,4-a]pyridin-8-ium-3-olate

Cat. No.: A648954

2D 3D

Structure of 105786-95-6 * Storage: Sealed in dry,2-8°C

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95%	250mg	$168.00	Inquiry	1-2 weeks
95%	1g	$406.00	Inquiry	1-2 weeks

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COA NMR CNMR HPLC LC-MS

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Specification

Alternatived Products of [ 105786-95-6 ]

Product Details of [ 105786-95-6 ]

CAS No. :	105786-95-6	MDL No. :	MFCD13194917
Formula :	C₆H₈N₂O₂	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	-
M.W :	140.14	Pubchem ID :	-
Synonyms :

Safety of [ 105786-95-6 ]

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P261-P305+P351+P338	UN#:	N/A
Hazard Statements:	H302-H315-H319-H335	Packing Group:	N/A
GHS Pictogram:

Application In Synthesis of [ 105786-95-6 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

Downstream synthetic route of [ 105786-95-6 ]

[ 105786-95-6 ] Synthesis Path-Downstream 1~3

1
[ 105786-95-6 ]
[ 623-47-2 ]
[ 307307-84-2 ]
[ 118055-06-4 ]

Reference： [1]Journal of Medicinal Chemistry,2006,vol. 49,p. 4623 - 4637
[2]Bioorganic and Medicinal Chemistry Letters,2012,vol. 22,p. 1870 - 1873

2
[ 105786-95-6 ]
[ 623-47-2 ]
[ 307307-84-2 ]

Yield	Reaction Conditions	Operation in experiment
56%	In xylene; for 6h;Reflux;	Ethyl propiolate (2.4 ml_, 23.7 mmol) was slowly added to a solution of reference example 14 (2.99 g, 21.3 mmol) in xylene (mixture of isomers, 40 ml_). The mixture was heated to reflux for 6 hours and the solvent was distilled off. The residue was purified by chromatography over silica gel using hexane/EtOAc mixtures of increasing polarity as eluent, to afford 2.3 g of the desired compound (yield: 56%). LC-MS (Method 2): tR = 1.63 min; m/z = 195 (MH+).
40.4%	In 5,5-dimethyl-1,3-cyclohexadiene; at 125℃; for 12h;	4,5,6,7-tetrahydro-3-oxo-[1,2,3]oxadiazolo[3,4-a]pyridin-8-indole (17.00 g, 121.3 mmol), Xylene (80 mL) and ethyl propiolate (18.7 mL, 185 mmol) were placed in a 250 mL round bottom flask, and reacted under nitrogen for 12 h at 125 C. The reaction was complete by TLC. The mixture was spin-dried, and subjected to silica gel column chromatography, gradient elution of PE:EA=20:1-2:1 to obtain 9.52 g of a yellow liquid, the yield was 40.4%.
32%	In 5,5-dimethyl-1,3-cyclohexadiene; for 2h;Reflux;	General procedure: A mixture of 22a (13.0 g, 93 mmol), and ethyl propiolate (28.5 mL, 278 mmol), in xylene (250 mL) was heated under reflux for 2 h. The cooled mixture was evaporated under reduced pressure. The residual oil was purified by column chromatography (diethylether), to afford the title compound as an oil, (5.82 g, 32%). 1H NMR (CDCl3) delta: 1.39 (t, 3H), 1.88 (m, 2H), 2.06 (m, 2H), 2.82 (t, 2H), 4.20 (t, 2H), 4.39 (q, 2H), 6.55 (s, 1H). LRMS (Thermospray) m/z: 195.2 (M+1)+.

26%

In o-xylene; for 16h;Heating / reflux;

Step 2: 4, 5, 6, 7-TetrahYdropYrazolof1 5-alpvridine-2-carboxvlic acid ethylester :; Ethyl propiolate (804 mg) was added to the o-xylene (15 mL) solution of tetrahydropyridino [1,2-c] [1, 2,3] oxadiazolone (1.04 g) under a nitrogen atmosphere and refluxed for 16 h. The solution was concentrated under a reduced pressure. The residue was applied to silica gel column chromatography, then the column was eluted with n-hexane-AcOEt (2/1-1/1). The titled compound was obtained as yellow oil (871 mg, 65%), and 4,5, 6, 7-tetrahydropyrazolo [1,5-a] pyridine-3-carboxylic acid ethyl ester was obtained as yellow oil (345 mg, 26%). 'H NMR (CDCI3) 61. 39 (t, 3H, J = 7.1 Hz), 1.84-1. 91 (m, 2H), 2.02-2. 09 (m, 2H), 2.82 (t, 2H, J = 6.4 Hz), 4.22 (t, 2H, J = 6.2 Hz), 4.39 (q, 2H, J = 7.1 Hz), 6.53 (s, 1 H).

Reference： [1]Patent: WO2010/43633,2010,A1 .Location in patent: Page/Page column 101-102
[2]Patent: CN108948019,2018,A .Location in patent: Paragraph 0404; 0413; 0414
[3]Bioorganic and Medicinal Chemistry,2012,vol. 20,p. 498 - 509
[4]Patent: WO2003/93279,2003,A1 .Location in patent: Page/Page column 69-70
[5]Patent: EP1241170,2002,A2 .Location in patent: Page 47

3
[ 105786-95-6 ]
[ 307313-03-7 ]

Reference： [1]Bioorganic and Medicinal Chemistry,2012,vol. 20,p. 498 - 509
[2]Bioorganic and Medicinal Chemistry Letters,2012,vol. 22,p. 1870 - 1873
[3]Bioorganic and Medicinal Chemistry Letters,2013,vol. 23,p. 4523 - 4527
,
[4]Patent: CN108948019,2018,A

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Application In Synthesis of [ 105786-95-6 ]

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[ CAS No. 105786-95-6 ] 4,5,6,7-Tetrahydro-[1,2,3]oxadiazolo[3,4-a]pyridin-8-ium-3-olate

Quality Control of [ 105786-95-6 ]

Related Doc. of [ 105786-95-6 ]

Product Details of [ 105786-95-6 ]

Safety of [ 105786-95-6 ]

Application In Synthesis of [ 105786-95-6 ]

[ 105786-95-6 ] Synthesis Path-Downstream 1~3

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