[ CAS No. 38240-29-8 ] {[proInfo.proName]}

Name: 38240-29-8|3-Nitropyridine-2-thiol|95+%
Brand: Ambeed
SKU: A454899
Rating: 99 (29 reviews)

,{[proInfo.pro_purity]}

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

2D 3D

Structure of 38240-29-8 * Storage: {[proInfo.prStorage]}

Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Search after Editing

* Storage: {[proInfo.prStorage]}

For Research Only 110K+ Compounds Competitive Price 1-2 Day Shipping

Quality Control of [ 38240-29-8 ]

COA NMR CNMR HPLC LC-MS

Related Doc. of [ 38240-29-8 ]

SDS Specification

Alternatived Products of [ 38240-29-8 ]

Product Details of [ 38240-29-8 ]

CAS No. :	38240-29-8	MDL No. :	MFCD00661369
Formula :	C₅H₄N₂O₂S	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	LKNPLDRVWHXGKZ-UHFFFAOYSA-N
M.W :	156.16	Pubchem ID :	819358
Synonyms :

Safety of [ 38240-29-8 ]

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 [ 38240-29-8 ]

* 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 [ 38240-29-8 ]
Downstream synthetic route of [ 38240-29-8 ]

[ 38240-29-8 ] Synthesis Path-Upstream 1~4

1
[ 38240-29-8 ]
[ 38240-21-0 ]

Reference： [1] Yakugaku Zasshi, 1958, vol. 78, p. 417,420[2] Chem.Abstr., 1958, p. 14622

2
[ 5470-18-8 ]
[ 38240-29-8 ]

Reference： [1] Yakugaku Zasshi, 1958, vol. 78, p. 417,420[2] Chem.Abstr., 1958, p. 14622
[3] Patent: US2004/162285, 2004, A1,
[4] Patent: US2004/87577, 2004, A1, . Location in patent: Page 64
[5] Patent: US2004/167123, 2004, A1, . Location in patent: Page/Page column 97

3
[ 76880-29-0 ]
[ 38240-29-8 ]
[ 20887-95-0 ]

Reference： [1] Chemistry Letters, 1981, p. 737 - 740

4
[ 76880-29-0 ]
[ 38240-29-8 ]
[ 20887-95-0 ]

Reference： [1] Chemistry Letters, 1981, p. 737 - 740

[ 38240-29-8 ] Synthesis Path-Downstream 1~30

1
[ 38240-29-8 ]
[ 38240-21-0 ]

Reference： [1]Yakugaku Zasshi/Journal of the Pharmaceutical Society of Japan,1958,vol. 78,p. 417,420
Chem.Abstr.,1958,p. 14622

2
[ 5470-18-8 ]
[ 38240-29-8 ]

Yield	Reaction Conditions	Operation in experiment
	With potassium hydroxide; thiourea; In ethanol; water;	Example 98A 3-nitropyridine-2-thiol 2-mercapto-3-nitropyridine was prepared by treating 3-nitro-2-chloro-pyridine (50 g, 0.0317 mol) with thiourea (24 g, 0.0317 mol) in 200 mL of ethanol at reflux for several hours. After the reaction mixture was allowed to cool, 7.19 mL solution of KOH (42.8 g in 115 mL of water) was added and the resulting mixture was heated at reflux for 3 hours. The crude reaction mixture was cooled to room temperature and then concentrated to 50% of its volume in vacuo.
		2-mercapto-3-nitropyridine was prepared by treating 3-nitro-2-chloro-pyridine (50 g, 0.0317 mol) with thiourea (24 g, 0.0317 mol) in 200 ML of ethanol at reflux for several hours.After the reaction mixture was allowed to cool, 7.19 ML solution of KOH (42.8 g in 115 ML of water) was added and the resulting mixture was heated at reflux for 3 hours.The crude reaction mixture was cooled to room temperature and then concentrated to 50% of its volume in vacuo.After diluting with 300 ML of water, the product was isolated by vacuum filtration as an orange solid that was used without further purification. MS (DCI/NH3) m/z 157 (M+H)+. 1H NMR (300 MHz, DMSO-d6) delta 5.76 (m, 1H), 7.67 (dd, J=8.46, 4.78 Hz, 1H), 8.63 (dd, J=8.46, 1.47 Hz, 1H), 8.73 (dd, J=4.60, 1.65 Hz, 1H).
		3-nitropyridine-2-thiol 2-mercapto-3-nitropyridine was prepared by treating 3-nitro-2-chloro-pyridine (50 g, 0.0317 mol) with thiourea (24 g, 0.0317 mol) in 200 ML of ethanol at reflux for several hours.After the reaction mixture was allowed to cool, 7.19 ML solution of KOH (42.8 g in 115 ML of water) was added and the resulting mixture was heated at reflux for 3 hours.The crude reaction mixture was cooled to room temperature and then concentrated to 50% of its volume in vacuo.After diluting with 300 ML of water, the product was isolated by vacuum filtration as an orange solid that was used without further purification. MS (DCI/NH3) m/z 157 (M+H)+. 1H NMR (300 MHz, DMSO-d6) delta 5.76 (m, 1H), 7.67 (dd, J=8.46, 4.78 Hz, 1H), 8.63 (dd, J=8.46, 1.47 Hz, 1H), 8.73 (dd, J=4.60, 1.65 Hz, 1H).

Reference： [1]Yakugaku Zasshi/Journal of the Pharmaceutical Society of Japan,1958,vol. 78,p. 417,420
Chem.Abstr.,1958,p. 14622
[2]Patent: US2004/162285,2004,A1
[3]Patent: US2004/87577,2004,A1 .Location in patent: Page 64
[4]Patent: US2004/167123,2004,A1 .Location in patent: Page/Page column 97

3
[ 38240-29-8 ]
[ 623-47-2 ]
[ 106202-26-0 ]

Reference： [1]Heterocycles,1986,vol. 24,p. 2137 - 2140

4
[ 38240-29-8 ]
[ 4282-19-3 ]
[ 75903-50-3 ]

Reference： [1]Journal of Medicinal Chemistry,1980,vol. 23,p. 1376 - 1380

5
[ 76880-29-0 ]
[ 38240-29-8 ]
[ 20887-95-0 ]

Reference： [1]Chemistry Letters,1981,p. 737 - 740

Yield	Reaction Conditions	Operation in experiment
		The reaction was stirred for 2 h, diluted with 250 ml of H2 O and evaporated in vacuo. The resulting solid was filtered off and discarded. The solution was then acidified with acetic acid to pH=4.5 and yellowish-red crystals formed. The title compound was filtered off, washed with water and dried under vacuum over a dessicant to provide 1.1 g (m.p.=185-7 C. (dec.)) NMR: (300 mHz, CDCl3) delta 6 8.09 (d, J =7Hz, 1H), 7.89 (d, J =7Hz, 1H), 6.84 (dd, J =6, 3Hz, 1H). IR: (KBr cm-1) 3119, 2872, 1611, 1577, 1527, 1349, 1330, 1240, 1141 MS: EI MS m/e 126 (M+)

8
[ 38240-29-8 ]
[ 106202-30-6 ]

Reference： [1]Heterocycles,1986,vol. 24,p. 2137 - 2140

9
[ 38240-29-8 ]
(1R,2R,3S,4S)-3-(3-Nitro-pyridine-2-sulfinyl)-7-oxa-bicyclo[2.2.1]hept-5-ene-2-carboxylic acid ethyl ester [ No CAS ]

Reference： [1]Heterocycles,1986,vol. 24,p. 2137 - 2140

10
[ 38240-29-8 ]
(1S,2R,3S,4R)-3-(3-Nitro-pyridine-2-sulfinyl)-7-oxa-bicyclo[2.2.1]hept-5-ene-2-carboxylic acid ethyl ester [ No CAS ]

Reference： [1]Heterocycles,1986,vol. 24,p. 2137 - 2140

11
[ 38240-29-8 ]
[ 60781-03-5 ]

Reference： [1]Yakugaku Zasshi/Journal of the Pharmaceutical Society of Japan,1958,vol. 78,p. 417,420
Chem.Abstr.,1958,p. 14622

12
[ 38240-29-8 ]
[ 91974-88-8 ]

Reference： [1]Yakugaku Zasshi/Journal of the Pharmaceutical Society of Japan,1958,vol. 78,p. 417,420
Chem.Abstr.,1958,p. 14622

13
[ 38240-29-8 ]
[ 686265-95-2 ]
[ 686265-96-3 ]

Yield	Reaction Conditions	Operation in experiment
86%	In toluene;	Example 101D N-[2-(aminosulfonyl)pyridin-3-yl]-5-chloro-4-hydroxy-1-(3-methylbutyl)-2-oxo-1,2-dihydroquinoline-3-carboxamide The product of Example 101C (0.170 g, 0.50 mmol) was reacted with the product of Example 98A (0.086 g, 0.50 mmol) in toluene (6 mL) at reflux for 16 hours. The reaction was cooled and the resulting precipitate was collected by filtration and dried to give the title compound (0.200 g, 86%). MS (DCI) m/z 465 (M+H)+. 1 1H NMR (300 MHz, DMSO-d6) delta 0.99 (d, J=6.62 Hz, 6H), 1.51 (m, 2H), 1.76 (m, 1H), 4.32 (m, 2H), 7.45 (d, J=7.35 Hz, 1H), 7.61 (d, J=8.82 Hz, 1H), 7.71 (s, 2H), 7.77 (m, 2H), 8.45 (dd, J=8.46, 1.47 Hz, 1H), 8.53 (dd, J=4.60, 1.29 Hz, 1H), 12.84 (s, 1H), 17.22 (s, 1H).
86%	In toluene; for 16.0h;Heating / reflux;	The product of Example 101C (0.170 g, 0.50 mmol) was reacted with the product of Example 98A (0.086 g, 0.50 mmol) in toluene (6 ML) at reflux for 16 hours.The reaction was cooled and the resulting precipitate was collected by filtration and dried to give the title compound (0.200 g, 86%). MS (DCI) m/z 465 (M+H)+. 11H NMR (300 MHz, DMSO-d6) delta 0.99 (d, J=6.62 Hz, 6H), 1.51 (m, 2H), 1.76 (m, 1H), 4.32 (m, 2H), 7.45 (d, J=7.35 Hz, 1H), 7.61 (d, J=8.82 Hz, 1H), 7.71 (s, 2H), 7.77 (m, 2H), 8.45 (dd, J=8.46, 1.47 Hz, 1H), 8.53 (dd, J=4.60, 1.29 Hz, 1H), 12.84 (s, 1H), 17.22 (s, 1H).
86%	In toluene; for 16.0h;Heating / reflux;	Example 101D N-[2-(aminosulfonyl)pyridin-3-yl]-5-chloro-4-hydroxy-1-(3-methylbutyl)-2-oxo-1,2-dihydroquinoline-3-carboxamide The product of Example 101C (0.170 g, 0.50 mmol) was reacted with the product of Example 98A (0.086 g, 0.50 mmol) in toluene (6 ML) at reflux for 16 hours.The reaction was cooled and the resulting precipitate was collected by filtration and dried to give the title compound (0.200 g, 86%). MS (DCI) m/z 465 (M+H)+. 1 1H NMR (300 MHz, DMSO-d6) delta 0.99 (d, J=6.62 Hz, 6H), 1.51 (m, 2H), 1.76 (m, 1H), 4.32 (m, 2H), 7.45 (d, J=7.35 Hz, 1H), 7.61 (d, J=8.82 Hz, 1H), 7.71 (s, 2H), 7.77 (m, 2H), 8.45 (dd, J=8.46, 1.47 Hz, 1H), 8.53 (dd, J=4.60, 1.29 Hz, 1H), 12.84 (s, 1H), 17.22 (s, 1H).

Reference： [1]Patent: US2004/162285,2004,A1
[2]Patent: US2004/87577,2004,A1 .Location in patent: Page 65
[3]Patent: US2004/167123,2004,A1 .Location in patent: Page/Page column 98

14
[ 37579-29-6 ]
[ 38240-29-8 ]
3-chloro-5-(3-nitro-pyridin-2-ylthio)-1,2,4-oxadiazole [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With potassium carbonate; In water; acetonitrile;	STR60 7.0 g (0.05 mol) of 3,5-dichloro-1,2,4-oxadiazole in 25 ml of anhydrous acetonitrile are added dropwise to 7.8 g (0.05 mol) of <strong>[38240-29-8]3-nitro-2-mercaptopyridine</strong> (compare Int. J. Pept. Prot. Res. 16, 392 (180)) and 6.9 g (0.05 mol) of potassium carbonate in 100 ml of anhydrous acetonitrile at room temperature, with stirring. When the addition has ended, the mixture is heated to the reflux temperature for 1 hour, and after cooling, 300 ml of water are added, the mixture is extracted three times with 200 ml of methylene chloride each time and the combined organic phases are washed with 200 ml of water, dried over sodium sulphate and concentrated in vacuo. The residue crystallizes from diisopropyl ether. 10.2 g (79% of theory) of 3-chloro-5-(3-nitro-2-pyridylthio)-1,2,4-oxadiazole of melting point 84 C. are obtained. The following 3-chloro-1,2,4-oxadiazoles of the general formula (I) are obtained in a corresponding manner and in accordance with the general statements on the preparation:

Reference： [1]Patent: US4826849,1989,A

15
[ 38240-29-8 ]
(3-aminopyrid-2-yl)sulfonamide [ No CAS ]
[ 94527-46-5 ]

Yield	Reaction Conditions	Operation in experiment
80%		Example 98B 3-aminopyridine-2-sulfonamide The title compound, (3-aminopyrid-2-yl)sulfonamide was prepared in 3 steps (80% yield) from <strong>[38240-29-8]2-mercapto-3-nitropyridine</strong> according to the procedure of R. Lejeune and co-workers as described in Jpharm. Belg., 39, 217-224, 1984. MS (DCI/NH3) m/z 174 (M+H)+. 1H NMR (300 MHz, DMSO-d6) delta 6.00 (s, 2H), 7.25 (m, 2H), 7.34 (s, 2H), 7.82 (dd, J=4.04, 1.47 Hz, 1H).

Reference： [1]Patent: US2004/162285,2004,A1

16
[ 38240-29-8 ]
[ 686266-01-3 ]
[ 179064-00-7 ]
[ 686266-02-4 ]

Yield	Reaction Conditions	Operation in experiment
		Example 102C N-[2-(aminosulfonyl)pyridin-3-yl]-1-benzyl-4-hydroxy-5-methyl-2-oxo-1,2-dihydroquinoline-3-carboxamide The title compound was prepared according to the procedure of Example 84C substituting the product of Example 102B for the product of Example 84B and substituting the product of Example 98A for 2-amino-5-bromobenzenesulfonamide (0.163 g, 41%). MS (ESI+) m/z 465 (M+H)-; 1H NMR (300 MHz, DMSO-d6) delta 2.82 (s, 3H), 5.59 (s, 2H), 7.15 (d, J=7.35 Hz, 1H), 7.24 (m, 3H), 7.33 (m, 3H), 7.56 (t, J=7.91 Hz, 1H), 7.72 (m, 3H), 8.51 (m, 1H), 8.53 (s, 1H), 12.93 (s, 1H), 17.16 (m, 1H).

Reference： [1]Patent: US2004/162285,2004,A1

17
[ 38240-29-8 ]
[ 31719-77-4 ]
[ 676502-83-3 ]

Yield	Reaction Conditions	Operation in experiment
		Step 1 3-chloromethylbenzoic acid (5. 9mmol) was dissolved in DMF and [CARBONYLDIIMIDAZOLE] (6. 2mmol) added. After 5 minutes the amine (5. 8mmol) was added and the reaction stirred at room temperature for 4h. The reaction mixture was diluted with water and extracted with [DICHLOROMETHANE.] The combined organics were dried over [MGS04,] filtered, and the solvent removed. The crude residue was purified by flash chromatography. Step 2 The product from step 1 (1. [6MMOL)] was dissolved in DMF along with the nitrothiopyridine (1. [6MMOL).] To this solution was added Hunig's base (3. 1 mmol) and the reaction stirred at room temperature overnight. The reaction mixture was treated with acetic acid solution and the product extracted with [DICHLOROMETHANE.] The combined organics were dried [OVER MGS04, FILTERED,] and the solvent removed. The crude residue was purified by flash chromatography. Step 3 The product from step 2 (0. [36MMOL)] was dissolved in ethanol and tin chloride dihydrate added. The reaction mixture was heated at [70C] for 2h. The residue was diluted with water and the product extracted with DCM. The combined organics were dried over MgS04, filtered, and the solvent removed. The crude product was used in the next reaction. Step 4 The product from step 3 (0. [07MMOL)] was dissolved in DCM and the acid chloride [(0.] [08MMOL)] added. To this was added [PS-DIEA] and PS-DMAP and the reaction stirred at RT overnight. The crude product was filtered and the solvent removed. The product was purified by flash chromatography.

Reference： [1]Patent: WO2004/26816,2004,A1 .Location in patent: Page 32-34

18
[ 38240-29-8 ]
[ 5535-49-9 ]
[ 1242435-96-6 ]

Yield	Reaction Conditions	Operation in experiment
66%	With potassium carbonate; In N,N-dimethyl-formamide; at 60℃; for 4.0h;	a) Synthesis of 3-nitro-2-(2-phenylsulfanyl-ethylsulfanyl)pyridine3.44 g (20.0 mmol) (2-chloroethyl)(phenyl)sulfane and 5.53 g (40.0 mmol) potassium carbonate were added to a solution of 1.56 g (10.0 mmol) <strong>[38240-29-8]2-mercapto-3-nitropyridine</strong> in DMF (30 ml) and heated for 4 h at 60 C. Then the mixture was diluted with EE and washed with brine. The organic phase was separated off, dried over Na2SO4, filtered and concentrated to small volume under vacuum. Column chromatography (hexane/EE 9:1) of the residue yielded 1.93 g (6.6 mmol, 66%) 3-nitro-2-(2-phenylsulfanyl-ethylsulfanyl)pyridine.

Reference： [1]Patent: US2010/234428,2010,A1 .Location in patent: Page/Page column 12

19
[ 38240-29-8 ]
2-((3-(trifluoromethyl)phenyl)sulfonyl)ethyl chloride [ No CAS ]
[ 1242435-92-2 ]

Yield	Reaction Conditions	Operation in experiment
63%	With potassium carbonate; In acetone; at 20 - 60℃;	a) Synthesis of 3-nitro-2-[2-[[3-(trifluoromethyl)phenyl]sulfonyl]-ethylsulfanyl]pyridine4.15 g (30.0 mmol) potassium carbonate and 2.59 g (9.5 mmol) (1-(3-chloroethylsulfonyl)-3-(trifluoromethyl)benzene were added to a solution of 1.56 g (10.0 mmol) <strong>[38240-29-8]3-nitro-2-mercaptopyridine</strong> in acetone (50 ml) at room temperature and then heated for 16 h at 60 C. Then the mixture was concentrated to small volume under vacuum and the residue was taken up with water and EE. The phases were separated and the organic phase was washed with water and brine, dried over Na2SO4, filtered and concentrated to small volume under vacuum. The crude product was washed repeatedly with hexane to produce 2.35 g (6.0 mmol, 63%) 3-nitro-2-[2-[[3-(trifluoromethyl)phenyl]sulfonyl]-ethylsulfanyl]pyridine.

Reference： [1]Patent: US2010/234428,2010,A1 .Location in patent: Page/Page column 12

20
[ 38240-29-8 ]
(SR)-methyl 2-(2-chlorophenyl)-2-(2-oxo-7,7a-dihydrothieno-[3,2-c]pyridin-5(2H,4H,6H)-yl)acetate [ No CAS ]
C₂₁H₂₀ClN₃O₆S₂ [ No CAS ]

Reference： [1]Molecular Pharmacology,2013,vol. 83,p. 848 - 856

21
[ 38240-29-8 ]
[ 31716-01-5 ]
[ 1577171-80-2 ]

Reference： [1]Journal of Medicinal Chemistry,2014,vol. 57,p. 4772 - 4795

22
[ 38240-29-8 ]
[ 31716-01-5 ]
[ 1577171-82-4 ]

Reference： [1]Journal of Medicinal Chemistry,2014,vol. 57,p. 4772 - 4795

23
[ 38240-29-8 ]
[ 100-39-0 ]
[ 69212-31-3 ]

Yield	Reaction Conditions	Operation in experiment
91%	With potassium carbonate; In N,N-dimethyl-formamide; at 20℃; for 2.0h;	Intermediate 6 2-(benzylthio)-3-nitropyridine [0133] <strong>[38240-29-8]3-nitropyridine-2-thiol</strong> (0.50 g, 3.2 mmol) in DMF (4 ml) was added benzyl bromide (0.38 ml, 3.2 mmol) and K2CO3 (0.89 g, 6.4 mmol). The mixture was stirred at room temperature for 2 hours, diluted with H2O, extracted with EtOAc. The organic layer was washed with brine, dried over Na2SO4, and concentrated in vacuo. The crude product was purified by recrystallization from MeOH and minimal amount of CH2Cl2 to yield the title compound (0.72 g, 91%). [0135] 1H NMR (CDCl3) delta: 8.72 (dd, J=4.5, 1.6 Hz, 1H), 8.49 (dd, J=8.2, 1.8 Hz, 1H), 7.43 (d, J=7.3 Hz, 2H), 7.20-7.34 (m, 4H), 4.48 (s, 2H).

Reference： [1]Patent: US2014/275132,2014,A1 .Location in patent: Paragraph 0133; 0134; 0135

24
[ 38240-29-8 ]
[ 69212-32-4 ]

Reference： [1]Patent: US2014/275132,2014,A1

25
[ 38240-29-8 ]
N-[2-(benzylsulfanyl)pyridin-3-yl]-1-benzothiophene-2-sulfonamide [ No CAS ]

Reference： [1]Patent: US2014/275132,2014,A1

26
[ 38240-29-8 ]
N-[2-(benzylsulfinyl)pyridin-3-yl]-1-benzothiophene-2-sulfonamide [ No CAS ]
N-[2-(benzylsulfonyl)pyridin-3-yl]-1-benzothiophene-2-sulfonamide [ No CAS ]

Reference： [1]Patent: US2014/275132,2014,A1

27
[ 38240-29-8 ]
[ 1147350-75-1 ]
C₂₁H₂₀ClN₃O₆S₂ [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With cytochrome b5; P450 reductase; recombinant cytochrome P450 2C19; NADPH; at 37℃; for 2.0h;Enzymatic reaction;	In a typical reaction, 50 nmoles of CYP2C19, 150 nmoles of P450 reductase and 250 nmoles of cytochrome b5 were reconstituted in phospholipid vesicles to form active protein complexes. 2-oxoclopidogrel and 3-nitropyrine-2-thiol were added at final concentrations of 0.05 and 0.3 mM respectively. Bio-synthesis of clop<strong>[38240-29-8]NPT</strong> was initiated by the addition of 1 mM NADPH. The reaction was incubated at 37oC for 2 hours.To purify clop<strong>[38240-29-8]NPT</strong>, the reaction mixture containing clop<strong>[38240-29-8]NPT</strong> was first filtered through a membrane with a cutoff of 10 kDa to remove all protein components. The filtrate containing clop<strong>[38240-29-8]NPT</strong> was then enriched on solid phase extraction (SPE) cartridges. Clop<strong>[38240-29-8]NPT</strong> was eluted from the SPE cartridges with 80% methanol/20% water. The eluent was concentrated to ~ 5ml at 50oC under vacuum. The concentrated mixture was loaded on a preparative reverse phase C18 column and Clop<strong>[38240-29-8]NPT</strong> was purified using high pressure liquid chromatography (HPLC). Clop<strong>[38240-29-8]NPT</strong> was eluted from the preparative C18 column at a flow rate of 3 ml/min with isocratic mobile phase consisting of 42% methanol/35%acetonitrile/22.9% water/0.1% formic acid. The HPLC fractions containing clop<strong>[38240-29-8]NPT</strong> were pooled and dried under vacuum. The final yield was ~25%. The purity of clop<strong>[38240-29-8]NPT</strong> estimated with liquid chromatography-tandem mass spectrometry (LC-MS/MS) was > 90% as shown in Figure 8

Reference： [1]Patent: WO2014/109987,2014,A1 .Location in patent: Page/Page column 45; 46

28
[ 38240-29-8 ]
[ 7404-35-5 ]
C₁₁H₁₄N₂O₆S [ No CAS ]

Reference： [1]Patent: CN106478749,2017,A

29
[ 38240-29-8 ]
[ 7404-35-5 ]
C₁₇H₂₀N₂O₉S [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
60%	With scandium(III) chloride; 3-butyl-1-methyl-1H-imidazol-3-ium hexafluorophosphate; at 40℃; for 5.0h;Inert atmosphere; Ionic liquid; Sealed tube; Microwave irradiation;	Weigh 0.30 g ScCl3, 0.33 g of tetraacetylated fucose, 0.155 g of <strong>[38240-29-8]3-nitro-2-mercaptopyridine</strong> ,In parallel reaction tube. Under an atmosphere of nitrogen ionic liquid PFIL-5 [R1, R2 = ethoxy, n = 3, X = (CF3SO2) 2N] 2mL and the general ionic liquid 3-butyl-1-methylimidazolium hexafluorophosphate 2mL, Closed reaction tube, Stirring reaction, Microwave irradiation using intermittent, Power 350W, Each irradiation for 5 minutes, Stop irradiation for 1 minute. Reaction for 5 hours, Temperature control at 40 degrees Celsius. The reaction was terminated by adding water. After silica gel column separation, 0.256 g of glycoside 1-1 was obtained, Yield 60% .Ionic liquids can be reused, Yield no significant change.

Reference： [1]Patent: CN106478749,2017,A .Location in patent: Paragraph 0040; 0041; 0042; 0043; 0044; 0045; 0046-0051

30
[ 38240-29-8 ]
[ 696-62-8 ]
3-nitro-2-((4-methoxyphenyl)thio)pyridine [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
72%	With Bi4Cl16(4-)*2C90H80N4Se2(2+); L-proline; sodium t-butanolate; In acetonitrile; at 85℃; for 16.0h;	General procedure: To a stirred solution of thiophenol (1 mmol), aryl halide (1. 2mmol), L -proline (10 mol%) andBi(III) catalyst (10 mol%) in acetonitrile (5mL) at 85 C. The reaction mixture was monitored byTLC until all thiophenol was found consumed. The reaction mixture was extracted with ethylacetate and water, the organic layer was separated then washed with NaCl and dried withanhydrous Na2SO4. The solvent was removed under reduced pressure using the rotatory evaporator.The crude product was purified by coloumn chromatography (5:95 of ethyl acetate and hexane) toisolate the yellow solid

Reference： [1]Journal of Organometallic Chemistry,2019,vol. 884,p. 29 - 35

Same Skeleton Products

Related Products

Historical Records

Related Functional Groups of
[ 38240-29-8 ]

Nitroes

[ 2127-09-5 ]

2-Mercapto-5-nitropyridine

Similarity: 0.91

[ 22746-79-8 ]

2-(Methylthio)-3-nitropyridine

Similarity: 0.90

[ 4262-11-7 ]

3-Nitro-2-(pyridin-2-ylthio)pyridine

Similarity: 0.86

[ 886372-86-7 ]

5-Bromo-3-nitropyridine-2-thiol

Similarity: 0.83

[ 353281-02-4 ]

4-((3-Nitropyridin-2-yl)thio)aniline

Similarity: 0.82

Related Parent Nucleus of
[ 38240-29-8 ]

Thiophenols

[ 2127-09-5 ]

2-Mercapto-5-nitropyridine

Similarity: 0.91

[ 886372-86-7 ]

5-Bromo-3-nitropyridine-2-thiol

Similarity: 0.83

[ 876489-83-7 ]

3-Bromo-5-nitropyridine-2-thiol

Similarity: 0.75

[ 64007-60-9 ]

3-Chloro-5-nitropyridine-2-thiol

Similarity: 0.72

Pyridines

[ 2127-09-5 ]

2-Mercapto-5-nitropyridine

Similarity: 0.91

[ 22746-79-8 ]

2-(Methylthio)-3-nitropyridine

Similarity: 0.90

[ 4262-11-7 ]

3-Nitro-2-(pyridin-2-ylthio)pyridine

Similarity: 0.86

[ 886372-86-7 ]

5-Bromo-3-nitropyridine-2-thiol

Similarity: 0.83

[ 353281-02-4 ]

4-((3-Nitropyridin-2-yl)thio)aniline

Similarity: 0.82

Ghs Precautionary Statements

Precautionary Statements-General
Code	Phrase
P101	If medical advice is needed,have product container or label at hand.
P102	Keep out of reach of children.
P103	Read label before use
Prevention
Code	Phrase
P201	Obtain special instructions before use.
P202	Do not handle until all safety precautions have been read and understood.
P210	Keep away from heat/sparks/open flames/hot surfaces. - No smoking.
P211	Do not spray on an open flame or other ignition source.
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
P231	Handle under inert gas.
P232	Protect from moisture.
P233	Keep container tightly closed.
P234	Keep only in original container.
P235	Keep cool
P240	Ground/bond container and receiving equipment.
P241	Use explosion-proof electrical/ventilating/lighting/equipment.
P242	Use only non-sparking tools.
P243	Take precautionary measures against static discharge.
P244	Keep reduction valves free from grease and oil.
P250	Do not subject to grinding/shock/friction.
P251	Pressurized container: Do not pierce or burn, even after use.
P260	Do not breathe dust/fume/gas/mist/vapours/spray.
P261	Avoid breathing dust/fume/gas/mist/vapours/spray.
P262	Do not get in eyes, on skin, or on clothing.
P263	Avoid contact during pregnancy/while nursing.
P264	Wash hands thoroughly after handling.
P265	Wash skin thouroughly after handling.
P270	Do not eat, drink or smoke when using this product.
P271	Use only outdoors or in a well-ventilated area.
P272	Contaminated work clothing should not be allowed out of the workplace.
P273	Avoid release to the environment.
P280	Wear protective gloves/protective clothing/eye protection/face protection.
P281	Use personal protective equipment as required.
P282	Wear cold insulating gloves/face shield/eye protection.
P283	Wear fire/flame resistant/retardant clothing.
P284	Wear respiratory protection.
P285	In case of inadequate ventilation wear respiratory protection.
P231 + P232	Handle under inert gas. Protect from moisture.
P235 + P410	Keep cool. Protect from sunlight.
Response
Code	Phrase
P301	IF SWALLOWED:
P304	IF INHALED:
P305	IF IN EYES:
P306	IF ON CLOTHING:
P307	IF exposed:
P308	IF exposed or concerned:
P309	IF exposed or if you feel unwell:
P310	Immediately call a POISON CENTER or doctor/physician.
P311	Call a POISON CENTER or doctor/physician.
P312	Call a POISON CENTER or doctor/physician if you feel unwell.
P313	Get medical advice/attention.
P314	Get medical advice/attention if you feel unwell.
P315	Get immediate medical advice/attention.
P320
P302 + P352	IF ON SKIN: wash with plenty of soap and water.
P321
P322
P330	Rinse mouth.
P331	Do NOT induce vomiting.
P332	IF SKIN irritation occurs:
P333	If skin irritation or rash occurs:
P334	Immerse in cool water/wrap n wet bandages.
P335	Brush off loose particles from skin.
P336	Thaw frosted parts with lukewarm water. Do not rub affected area.
P337	If eye irritation persists:
P338	Remove contact lenses, if present and easy to do. Continue rinsing.
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.
P363	Wash contaminated clothing before reuse.
P370	In case of fire:
P371	In case of major fire and large quantities:
P372	Explosion risk in case of fire.
P373	DO NOT fight fire when fire reaches explosives.
P374	Fight fire with normal precautions from a reasonable distance.
P376	Stop leak if safe to do so. Oxidising gases (section 2.4) 1
P377	Leaking gas fire: Do not extinguish, unless leak can be stopped safely.
P378
P380	Evacuate area.
P381	Eliminate all ignition sources if safe to do so.
P390	Absorb spillage to prevent material damage.
P391	Collect spillage. Hazardous to the aquatic environment
P301 + P310	IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician.
P301 + P312	IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
P301 + P330 + P331	IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.
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.
P303 + P361 + P353	IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.
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.
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.
P370 + P380 + P375	In case of fire: Evacuate area. Fight fire remotely due to the risk of explosion.
P371 + P380 + P375	In case of major fire and large quantities: Evacuate area. Fight fire remotely due to the risk of explosion.
Storage
Code	Phrase
P401
P402	Store in a dry place.
P403	Store in a well-ventilated place.
P404	Store in a closed container.
P405	Store locked up.
P406	Store in corrosive resistant/ container with a resistant inner liner.
P407	Maintain air gap between stacks/pallets.
P410	Protect from sunlight.
P411
P412	Do not expose to temperatures exceeding 50 oC/ 122 oF.
P413
P420	Store away from other materials.
P422
P402 + P404	Store in a dry place. Store in a closed container.
P403 + P233	Store in a well-ventilated place. Keep container tightly closed.
P403 + P235	Store in a well-ventilated place. Keep cool.
P410 + P403	Protect from sunlight. Store in a well-ventilated place.
P410 + P412	Protect from sunlight. Do not expose to temperatures exceeding 50 oC/122oF.
P411 + P235	Keep cool.
Disposal
Code	Phrase
P501	Dispose of contents/container to ...
P502	Refer to manufacturer/supplier for information on recovery/recycling

Purity	Size	Price	VIP Price	USA Stock *0-1 Day	Global Stock *5-7 Days	Quantity
{[ item.p_purity ]}	{[ item.pr_size ]}	{[ getRatePrice(item.pr_usd, 1,1) ]} {[ getRatePrice(item.pr_usd,item.pr_rate,item.mem_rate) ]}	{[ getRatePrice(item.pr_usd, 1,1) ]}	Inquiry {[ getRatePrice(item.pr_usd,item.pr_rate,item.mem_rate) ]} {[ getRatePrice(item.pr_usd,1,item.mem_rate) ]}	{[ item.pr_usastock ]}	Inquiry -	{[ item.pr_chinastock ]}	Inquiry -

Physical hazards
Code	Phrase
H200	Unstable explosive
H201	Explosive; mass explosion hazard
H202	Explosive; severe projection hazard
H203	Explosive; fire, blast or projection hazard
H204	Fire or projection hazard
H205	May mass explode in fire
H220	Extremely flammable gas
H221	Flammable gas
H222	Extremely flammable aerosol
H223	Flammable aerosol
H224	Extremely flammable liquid and vapour
H225	Highly flammable liquid and vapour
H226	Flammable liquid and vapour
H227	Combustible liquid
H228	Flammable solid
H229	Pressurized container: may burst if heated
H230	May react explosively even in the absence of air
H231	May react explosively even in the absence of air at elevated pressure and/or temperature
H240	Heating may cause an explosion
H241	Heating may cause a fire or explosion
H242	Heating may cause a fire
H250	Catches fire spontaneously if exposed to air
H251	Self-heating; may catch fire
H252	Self-heating in large quantities; may catch fire
H260	In contact with water releases flammable gases which may ignite spontaneously
H261	In contact with water releases flammable gas
H270	May cause or intensify fire; oxidizer
H271	May cause fire or explosion; strong oxidizer
H272	May intensify fire; oxidizer
H280	Contains gas under pressure; may explode if heated
H281	Contains refrigerated gas; may cause cryogenic burns or injury
H290	May be corrosive to metals
Health hazards
Code	Phrase
H300	Fatal if swallowed
H301	Toxic if swallowed
H302	Harmful if swallowed
H303	May be harmful if swallowed
H304	May be fatal if swallowed and enters airways
H305	May be harmful if swallowed and enters airways
H310	Fatal in contact with skin
H311	Toxic in contact with skin
H312	Harmful in contact with skin
H313	May be harmful in contact with skin
H314	Causes severe skin burns and eye damage
H315	Causes skin irritation
H316	Causes mild skin irritation
H317	May cause an allergic skin reaction
H318	Causes serious eye damage
H319	Causes serious eye irritation
H320	Causes eye irritation
H330	Fatal if inhaled
H331	Toxic if inhaled
H332	Harmful if inhaled
H333	May be harmful if inhaled
H334	May cause allergy or asthma symptoms or breathing difficulties if inhaled
H335	May cause respiratory irritation
H336	May cause drowsiness or dizziness
H340	May cause genetic defects
H341	Suspected of causing genetic defects
H350	May cause cancer
H351	Suspected of causing cancer
H360	May damage fertility or the unborn child
H361	Suspected of damaging fertility or the unborn child
H361d	Suspected of damaging the unborn child
H362	May cause harm to breast-fed children
H370	Causes damage to organs
H371	May cause damage to organs
H372	Causes damage to organs through prolonged or repeated exposure
H373	May cause damage to organs through prolonged or repeated exposure
Environmental hazards
Code	Phrase
H400	Very toxic to aquatic life
H401	Toxic to aquatic life
H402	Harmful to aquatic life
H410	Very toxic to aquatic life with long-lasting effects
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. 38240-29-8 ] {[proInfo.proName]}

Quality Control of [ 38240-29-8 ]

Related Doc. of [ 38240-29-8 ]

Product Details of [ 38240-29-8 ]

Safety of [ 38240-29-8 ]

Application In Synthesis of [ 38240-29-8 ]

[ 38240-29-8 ] Synthesis Path-Upstream 1~4

[ 38240-29-8 ] Synthesis Path-Downstream 1~30

Related Functional Groups of [ 38240-29-8 ]

Nitroes

Related Parent Nucleus of [ 38240-29-8 ]

Thiophenols

Pyridines

Precautionary Statements-General

Prevention

Response

Storage

Disposal

Physical hazards

Health hazards

Environmental hazards

Inquiry

Related Functional Groups of
[ 38240-29-8 ]

Related Parent Nucleus of
[ 38240-29-8 ]