[ CAS No. 76196-66-2 ] {[proInfo.proName]}

Name: 76196-66-2|Methyl 5-cyanopicolinate|97%
Brand: Ambeed
SKU: A149604
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Structure of 76196-66-2 * Storage: {[proInfo.prStorage]}

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Quality Control of [ 76196-66-2 ]

COA NMR CNMR HPLC LC-MS

Related Doc. of [ 76196-66-2 ]

SDS Specification

Alternatived Products of [ 76196-66-2 ]

Product Details of [ 76196-66-2 ]

CAS No. :	76196-66-2	MDL No. :	MFCD11848344
Formula :	C₈H₆N₂O₂	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	-
M.W :	162.15	Pubchem ID :	-
Synonyms :

Safety of [ 76196-66-2 ]

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P280-P305+P351+P338	UN#:	N/A
Hazard Statements:	H302	Packing Group:	N/A
GHS Pictogram:

Application In Synthesis of [ 76196-66-2 ]

* 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.

Upstream synthesis route of [ 76196-66-2 ]
Downstream synthetic route of [ 76196-66-2 ]

[ 76196-66-2 ] Synthesis Path-Upstream 1~1

1
[ 76196-66-2 ]
[ 53234-55-2 ]

Reference： [1] Patent: US2009/209755, 2009, A1, . Location in patent: Page/Page column 51-52
[2] Patent: WO2010/13794, 2010, A1, . Location in patent: Page/Page column 87
[3] Patent: US2010/93999, 2010, A1, . Location in patent: Page/Page column 35
[4] Patent: WO2011/9897, 2011, A1, . Location in patent: Page/Page column 74
[5] Patent: WO2011/9898, 2011, A1, . Location in patent: Page/Page column 83
[6] Patent: US2012/190672, 2012, A1, . Location in patent: Page/Page column 33
[7] Patent: WO2012/98213, 2012, A1, . Location in patent: Page/Page column 66

[ 76196-66-2 ] Synthesis Path-Downstream 1~2

1
[ 76196-66-2 ]
[ 53397-80-1 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 2 steps 1: H₂, conc. HCl / 5 percent Pd-C / methanol / 10 h / Ambient temperature 2: 4 N NaOH / 2 h / Heating

Reference： [1]Isoda, Sumiro; Yamaguchi, Hitoshi; Satoh, Yoshinari; Miki, Tosaku; Hirata, Miyoshi [Chemical and pharmaceutical bulletin, 1980, vol. 28, # 5, p. 1408 - 1414]

2
[ 76196-66-2 ]
[ 53234-55-2 ]

Yield	Reaction Conditions	Operation in experiment
		Synthesis of 5-cyanopyridine-2-carboxylic acid A solution of the compound of Preparation Example 13-(1) (920 mg) and a 5 N sodium hydroxide solution (2.26 mL) in ethanol (30 mL) was stirred at room temperature for 10 minutes. 5 N hydrochloric acid (5.2 mL) was added to the reaction solution at room temperature, followed by extraction with ethyl acetate. The extract was dried over anhydrous magnesium sulfate. The drying agent was removed by filtration and the filtrate was concentrated under reduced pressure to obtain the title compound (800 mg). 1H-NMR (400 MHz, DMSOd6) delta (ppm): 8.18 (d, J=8.0 Hz, 1H), 8.51 (dd, J=2.0, 8.0 Hz, 1H), 9.12-9.18 (m, 1H).
		A solution of the compound 9-2 (920 mg) and a 5 N sodium hydroxide solution (2.26 ml) in ethanol (30 ml) was stirred at room temperature for 10 minutes. 5 N hydrochloric acid (5.2 ml) was added to the reaction solution at room temperature, followed by extraction with ethyl acetate. The extract was dried over anhydrous magnesium sulfate. The drying agent was removed by filtration and the filtrate was concentrated under reduced pressure to obtain the title compound (800 mg) .1H-NMR (400 MHz, DMSOd6) delta (ppm) : 8.18 (d, J=8.0 Hz, IH), 8.51 (dd, J=2.0, 8.0 Hz, IH), 9.12-9.18 (m, IH
		A solution of the compound of Preparation Example 3-(1) (920 mg) and a 5 N sodium hydroxide solution (2.26 ml) in ethanol (30 ml) was stirred at room temperature for 10 minutes. 5 N hydrochloric acid (5.2 ml) was added to the reaction solution at room temperature, followed by extraction with ethyl acetate. The extract was dried over anhydrous magnesium sulfate. The drying agent was removed by filtration and the filtrate was concentrated under reduced pressure to obtain the title compound (800 mg).1H-NMR (400 MHz, DMSOd6) delta (ppm): 8.18 (d, J=8.0 Hz, 1H), 8.51 (dd, J=2.0, 8.0 Hz, 1H), 9.12-9.18 (m, 1H).

		Synthesis of 5-cvanopyridine-2-carboxylic acidA solution of methyl-5-cyanopyridine-2-carboxylate (920 mg) and a 5 N NaOH solution (2.26 mL) in ethanol (30 mL) was stirred at RT for 10 min. 5 N hydrochloric acid (5.2 mL) was added to the reaction solution at RT, followed by extraction with EtOAc. The extract was dried over anhydrous MgSO4. The drying agent was removed by filtration and the filtrate was concentrated under reduced pressure to obtain the title compound (800 mg). 1H-NMR (400 MHz, DMSOd6) delta (ppm): 8.18 (d, J = 8.0 Hz, IH), 8.51 (dd, J = 2.0, 8.0 Hz, IH), 9.12-9.18 (m, IH).
		Synthesis of 5-cvanopyridine-2-carboxylic acidA solution of the compound of Preparation Example 13-(1) (920 mg) and a 5 N NaOH solution (2.26 mL) in ethanol (30 mL) was stirred at RT for 10 min. 5 N hydrochloric acid (5.2 mL) was added to the reaction solution at RT, followed by extraction with EtOAc. The extract was dried over anhydrous MgSO4. The drying agent was removed by filtration and the filtrate was concentrated under reduced pressure to obtain the title compound (800 mg). 1H-NMR (400 MHz, DMSOd6) delta (ppm): 8.18 (d, J = 8.0Hz, IH), 8.51 (dd, J = 2.0, 8.0 Hz, IH), 9.12-9.18 (m, IH).
		A solution of the compound of Preparation Example 13-(1) (920 mg) and a 5 N NaOH solution (2.26 mL) in ethanol (30 mL) was stirred at RT for 10 min. 5 N hydrochloric acid (5.2 mL) was added to the reaction solution at RT, followed by extraction with EtOAc. The extract was dried over anhydrous MgSO4. The drying agent was removed by filtration and the filtrate was concentrated under reduced pressure to obtain the title compound (800 mg). 1H-NMR (400 MHz, DMSOd6) delta (ppm): 8.18 (d, J=8.0 Hz, 1H), 8.51 (dd, J=2.0, 8.0 Hz, 1H), 9.12-9.18 (m, 1H).
		A solution of the compound of Preparation Example 13-(1) (920 mg) and a 5 N NaOH solution (2.26 mL) in ethanol (30 mL) was stirred at RT for 10 min. 5 N hydrochloric acid (5.2 mL) was added to the reaction solution at RT, followed by extraction with EtOAc. The extract was dried over anhydrous MgSO4. The drying agent was removed by filtration and the filtrate was concentrated under reduced pressure to obtain the title compound (800 mg). 1H-NMR (400 MHz, DMSOd6) delta (ppm): 8.18 (d, J=8.0 Hz, 1H), 8.51 (dd, J=2.0, 8.0 Hz, 1H), 9.12-9.18 (m, 1H).

Reference： [1]Patent: US2009/209755,2009,A1 .Location in patent: Page/Page column 51-52
[2]Patent: WO2010/13794,2010,A1 .Location in patent: Page/Page column 87
[3]Patent: US2010/93999,2010,A1 .Location in patent: Page/Page column 35
[4]Patent: WO2011/9897,2011,A1 .Location in patent: Page/Page column 74
[5]Patent: WO2011/9898,2011,A1 .Location in patent: Page/Page column 83
[6]Patent: US2012/190672,2012,A1 .Location in patent: Page/Page column 33
[7]Patent: WO2012/98213,2012,A1 .Location in patent: Page/Page column 66

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P321
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P337	If eye irritation persists:
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P340	Remove victim to fresh air and keep at rest in a position comfortable for breathing.
P341	If breathing is difficult, remove victim to fresh air and keep at rest in a position comfortable for breathing.
P342	If experiencing respiratory symptoms:
P350	Gently wash with plenty of soap and water.
P351	Rinse cautiously with water for several minutes.
P352	Wash with plenty of soap and water.
P353	Rinse skin with water/shower.
P360	Rinse immediately contaminated clothing and skin with plenty of water before removing clothes.
P361	Remove/Take off immediately all contaminated clothing.
P362	Take off contaminated clothing and wash before reuse.
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P371	In case of major fire and large quantities:
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P378
P380	Evacuate area.
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P390	Absorb spillage to prevent material damage.
P391	Collect spillage. Hazardous to the aquatic environment
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P302 + P334	IF ON SKIN: Immerse in cool water/wrap in wet bandages.
P302 + P350	IF ON SKIN: Gently wash with plenty of soap and water.
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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.
P304 + P341	IF INHALED: If breathing is difficult, remove victim to fresh air and keep at rest in a position comfortable for breathing.
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.
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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.
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H301	Toxic if swallowed
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H310	Fatal in contact with skin
H311	Toxic in contact with skin
H312	Harmful in contact with skin
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H314	Causes severe skin burns and eye damage
H315	Causes skin irritation
H316	Causes mild skin irritation
H317	May cause an allergic skin reaction
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H319	Causes serious eye irritation
H320	Causes eye irritation
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H411	Toxic to aquatic life with long-lasting effects
H412	Harmful to aquatic life with long-lasting effects
H413	May cause long-lasting harmful effects to aquatic life
H420	Harms public health and the environment by destroying ozone in the upper atmosphere

[ CAS No. 76196-66-2 ] {[proInfo.proName]}

Quality Control of [ 76196-66-2 ]

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Application In Synthesis of [ 76196-66-2 ]

[ 76196-66-2 ] Synthesis Path-Upstream 1~1

[ 76196-66-2 ] Synthesis Path-Downstream 1~2

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