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[ CAS No. 106730-54-5 ]

{[proInfo.proName]} ,{[proInfo.pro_purity]}

Cat. No.: {[proInfo.prAm]}

2D3D

Chemical Structure| 106730-54-5

Chemical Structure| 106730-54-5

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Quality Control of [ 106730-54-5 ]

COA NMR CNMR HPLC LC-MS

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Alternatived Products of [ 106730-54-5 ]

Product Details of [ 106730-54-5 ]

CAS No. :	106730-54-5	MDL No. :	MFCD25541649
Formula :	C₁₄H₁₀N₄O	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	-
M.W :	250.26	Pubchem ID :	4593
Synonyms :	1. Olprinone

Computed Properties of [ 106730-54-5 ]

TPSA :Topological Polar Surface Area	70.2	H-Bond Acceptor Count :	3
XLogP3 :	1.5	H-Bond Donor Count :	1
SP3 :	0.07	Rotatable Bond Count :	1

Safety of [ 106730-54-5 ]

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 [ 106730-54-5 ]

Upstream synthesis route of [ 106730-54-5 ]
Downstream synthetic route of [ 106730-54-5 ]

[ 106730-54-5 ] Synthesis Path-Upstream 1~11

1
[ 913835-63-9 ]
[ 84725-13-3 ]
[ 106730-54-5 ]

Yield	Reaction Conditions	Operation in experiment
71.7%	With bis-triphenylphosphine-palladium(II) chloride; potassium carbonate In toluene at 90 - 100℃; for 24.00 h; Inert atmosphere	13.3 g of compound iii (0.062 mol), 12.1 g of compound vi (0.075 mol), 4.5 g of bis(triphenylphosphine)palladium(II) chloride (0.006 mol), 1.0 mol/L potassium carbonate solution 64ml in argon under the protection of added to 133ml toluene, heated to 90 ~ 100 , incubation reaction 24h. The reaction mixture was poured into 200 ml of purified water, extracted with 70 ml of ethyl acetate three times, twice with 100 ml of saturated brine, dried over anhydrous magnesium sulfate and concentrated under reduced pressure to give a pale gray solid which was beaten with petroleum ether for 1 hour to give an off-white solid, i.e., Oprinon (compound ii), and weighed 11.2 g in a yield of 71.7percent.

Reference： [1] Patent: CN106349246, 2017, A. Location in patent: Paragraph 0023; 0028; 0029

2
[ 106730-70-5 ]
[ 107-91-5 ]
[ 106730-54-5 ]

Reference： [1] Chemical and Pharmaceutical Bulletin, 1991, vol. 39, # 6, p. 1556 - 1567

3
[ 6188-23-4 ]
[ 106730-54-5 ]

Reference： [1] Chemical and Pharmaceutical Bulletin, 1991, vol. 39, # 6, p. 1556 - 1567
[2] Patent: CN106349246, 2017, A

4
[ 1072-97-5 ]
[ 106730-54-5 ]

Reference： [1] Chemical and Pharmaceutical Bulletin, 1991, vol. 39, # 6, p. 1556 - 1567

5
[ 36052-24-1 ]
[ 106730-54-5 ]

Reference： [1] Chemical and Pharmaceutical Bulletin, 1991, vol. 39, # 6, p. 1556 - 1567

6
[ 116355-16-9 ]
[ 106730-54-5 ]

Reference： [1] Chemical and Pharmaceutical Bulletin, 1991, vol. 39, # 6, p. 1556 - 1567

7
[ 116355-20-5 ]
[ 106730-54-5 ]

Reference： [1] Chemical and Pharmaceutical Bulletin, 1991, vol. 39, # 6, p. 1556 - 1567

8
[ 116355-08-9 ]
[ 106730-54-5 ]

Reference： [1] Chemical and Pharmaceutical Bulletin, 1991, vol. 39, # 6, p. 1556 - 1567

9
[ 136117-69-6 ]
[ 106730-54-5 ]

Reference： [1] Chemical and Pharmaceutical Bulletin, 1991, vol. 39, # 6, p. 1556 - 1567

10
[ 116355-21-6 ]
[ 106730-54-5 ]

Reference： [1] Chemical and Pharmaceutical Bulletin, 1991, vol. 39, # 6, p. 1556 - 1567

11
[ 4241-27-4 ]
[ 106730-54-5 ]

Reference： [1] Patent: CN106349246, 2017, A

[ 106730-54-5 ] Synthesis Path-Downstream 1~10

1
[ 106730-54-5 ]
[ 119615-63-3 ]

Yield	Reaction Conditions	Operation in experiment
84.6%	With hydrogenchloride; In methanol; water; at 70 - 80℃; for 0.166667h;	To a 250 mL three-necked flask, Intermediate IV 9.82 g, methanol 39 mL, and purified water 118 mL were added, and the mixture was stirred and warmed. The temperature was controlled at 70-80 C, 6.5 mL of concentrated hydrochloric acid was added dropwise, the solid was completely dissolved, and the temperature was kept for 10 min, and the temperature was lowered to room temperature. The solid was precipitated, suction filtered, and the filter cake was washed with a small amount of water, and dried at 45 C for 1 h to obtain a pale yellow solid of 11.32 g. It is a crude crude product of apricot hydrochloride with a yield of 94.7%.To a 250 mL three-necked flask, 10.00 g of crude aprenamine hydrochloride was added, and 110 mL of purified water was added thereto, and the mixture was heated to 85 C with stirring, completely dissolved, kept for 10 minutes, and lowered to room temperature. The filter cake was suction filtered, and the filtrate was washed with a small amount of purified water, and dried at 40 C for 1 hour to obtain an off-white solid of 8.46 g. The yield was 84.6%.

Reference： [1]Patent: CN109575017,2019,A.Location in patent: Paragraph 0035; 0048-0050; 0051; 0060-0062; 0063; 0072-0074

2
[ 106730-54-5 ]
olprinone hydrochloride [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
62.5%	With hydrogenchloride; In ethanol; N,N-dimethyl-formamide; at 80℃; for 1.0h;	11.0 g of compound ii (0.044 mol) was added to 110 ml of DMF, heated to 80 C, and 9 ml of a mixed solution of concentrated hydrochloric acid and ethanol was added dropwise to the reaction flask (concentrated hydrochloric acid: ethanol = 1: 1), and the mixture was stirred at 80 C for 1 h. Stop heating, cooling crystallization, the crystal filter, add 165ml methanol - water (2: 1)Heating to reflux, adding activated carbon stirring decolorization, hot filter mother liquor cooling stirring and recrystallization, filtered white solid, that is, <strong>[106730-54-5]olprinone</strong> hydrochloride (compound i), dry weighing 8.4g, the yield of 62.5%.

Reference： [1]Patent: CN106349246,2017,A.Location in patent: Paragraph 0023; 0030

3
[ 106730-70-5 ]
[ 107-91-5 ]
[ 106730-54-5 ]

Yield	Reaction Conditions	Operation in experiment
87.9%	With sodium methylate; In ethanol; for 1.0h;Reflux;	To a 500 mL three-necked flask, Intermediate III 12.78 g, 166 mL of absolute ethanol, 6.98 g of cyanoacetamide (SM4), and 6.02 g of sodium methoxide were successively added, and the mixture was heated to reflux with stirring, and the reaction was kept for 1 h. The reaction was monitored by TLC, and the disappearance of the spot of the intermediate III was regarded as the end of the reaction (developing agent = dichloromethane: methanol = 10:1). At room temperature, 64 mL of purified water was added, about 7 mL of glacial acetic acid was added slowly, pH was adjusted to 7-8, solids were precipitated, stirred at room temperature for 1 h, suction filtered, washed with a small amount of ethanol, and the filter cake was dried at 45 C for 1 h to obtain a yellow solid 12.26. g, intermediate IV, yield 87.9%.

Reference： [1]Patent: CN109575017,2019,A.Location in patent: Paragraph 0035; 0045-0047; 0051; 0059; 0063; 0071
[2]Chemical and Pharmaceutical Bulletin,1991,vol. 39,p. 1556 - 1567

4
[ 106730-54-5 ]
[ 109-70-6 ]
[ 143951-92-2 ]

Reference： [1]Chemical and Pharmaceutical Bulletin,1992,vol. 40,p. 1486 - 1493

5
[ 106730-54-5 ]
[ 107-08-4 ]
[ 141354-45-2 ]
[ 143951-66-0 ]

Reference： [1]Chemical and Pharmaceutical Bulletin,1992,vol. 40,p. 1486 - 1493

6
[ 106730-54-5 ]
[ 107-08-4 ]
[ 141354-45-2 ]

Reference： [1]Chemical and Pharmaceutical Bulletin,1992,vol. 40,p. 666 - 674

7
[ 106730-54-5 ]
[ 75-03-6 ]
1-Ethyl-5-imidazo[1,2-a]pyridin-6-yl-6-methyl-2-oxo-1,2-dihydro-pyridine-3-carbonitrile [ No CAS ]
[ 143951-65-9 ]

Reference： [1]Chemical and Pharmaceutical Bulletin,1992,vol. 40,p. 1486 - 1493

8
[ 106730-54-5 ]
[ 116355-37-4 ]

Reference： [1]Chemical and Pharmaceutical Bulletin,1992,vol. 40,p. 666 - 674

9
[ 106730-54-5 ]
[ 106730-68-1 ]

Yield	Reaction Conditions	Operation in experiment
	With bromine; In acetic acid;	EXAMPLE 11 5-(3-Bromoimidazo[1,2-a]pyridin-6-yl)-1,2-dihydro-6-methyl-2-oxo-3-pyridinecarbonitrile hydrobromide In 10 ml of acetic acid was dissolved 0.3 g of <strong>[106730-54-5]1,2-dihydro-5-(imidazo[1,2-a]pyridin-6-yl)-6-methyl-2-oxo-3-pyridinecarbonitrile</strong>. To the solution 0.2 g of bromine was added and the mixture was warmed to 30 C. After cooling, precipitated white crystals were taken by filtration. After washing with ether, the crystals were recrystallized from methanol to obtain 0.4 g of 5-(3-bromoimidazo[1,2-a]pyridin-6-yl)-1,2-dihydro-6-methyl-2-oxo-3-pyridinecarbonitrile hydrobromide. Melting point: >300 C. Nuclear magnetic resonance spectrum (in DMSO-d6): 12.90(b, s), 8.68(1H, s), 8.32(1H, s), 8.24(1H, s), 7.99(1H, d, J=9 Hz), 7.81(1H, dd, J=2, 9 Hz), 2.30(3H, s)

Reference： [1]Chemical and Pharmaceutical Bulletin,1991,vol. 39,p. 1556 - 1567
[2]Patent: US4751227,1988,A

10
[ 106730-54-5 ]
[ 106730-63-6 ]

Reference： [1]Chemical and Pharmaceutical Bulletin,1991,vol. 39,p. 1556 - 1567

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Code	Phrase
P101	If medical advice is needed,have product container or label at hand.
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Code	Phrase
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P220	Keep/Store away from clothing/combustible materials.
P221	Take any precaution to avoid mixing with combustibles
P222	Do not allow contact with air.
P223	Keep away from any possible contact with water, because of violent reaction and possible flash fire.
P230	Keep wetted
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P233	Keep container tightly closed.
P234	Keep only in original container.
P235	Keep cool
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Response
Code	Phrase
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P320
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P321
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P302 + P334	IF ON SKIN: Immerse in cool water/wrap in wet bandages.
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P304 + P312	IF INHALED: Call a POISON CENTER or doctor/physician if you feel unwell.
P304 + P340	IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.
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P305 + P351 + P338	IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
P306 + P360	IF ON CLOTHING: Rinse Immediately contaminated CLOTHING and SKIN with plenty of water before removing clothes.
P307 + P311	IF exposed: call a POISON CENTER or doctor/physician.
P308 + P313	IF exposed or concerned: Get medical advice/attention.
P309 + P311	IF exposed or if you feel unwell: call a POISON CENTER or doctor/physician.
P332 + P313	IF SKIN irritation occurs: Get medical advice/attention.
P333 + P313	IF SKIN irritation or rash occurs: Get medical advice/attention.
P335 + P334	Brush off loose particles from skin. Immerse in cool water/wrap in wet bandages.
P337 + P313	IF eye irritation persists: Get medical advice/attention.
P342 + P311	IF experiencing respiratory symptoms: call a POISON CENTER or doctor/physician.
P370 + P376	In case of fire: Stop leak if safe to Do so.
P370 + P378	In case of fire:
P370 + P380	In case of fire: Evacuate area.
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P401
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H301	Toxic if swallowed
H302	Harmful if swallowed
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H310	Fatal in contact with skin
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