[ CAS No. 169590-41-4 ]

Name: 169590-41-4|4-(3-(Difluoromethyl)-5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-1-yl)benzenesulfonamide|98%
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SKU: A116985
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{[proInfo.proName]} (Synonyms:Deracoxib) ,{[proInfo.pro_purity]}

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

Structure of 169590-41-4 * Storage: {[proInfo.prStorage]}

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Quality Control of [ 169590-41-4 ]

COA NMR CNMR HPLC LC-MS

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SDS Specification

Alternatived Products of [ 169590-41-4 ]

Product Details of [ 169590-41-4 ]

CAS No. :	169590-41-4	MDL No. :
Formula :	-	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	WAZQAZKAZLXFMK-UHFFFAOYSA-N
M.W :	-	Pubchem ID :	3058754
Synonyms :	Deracoxib

Calculated chemistry of [ 169590-41-4 ]

Physicochemical Properties

Num. heavy atoms :	27
Num. arom. heavy atoms :	17
Fraction Csp3 :	0.12
Num. rotatable bonds :	5
Num. H-bond acceptors :	8.0
Num. H-bond donors :	1.0
Molar Refractivity :	91.51
TPSA :	95.59 Å²

Pharmacokinetics

GI absorption :	High
BBB permeant :	No
P-gp substrate :	No
CYP1A2 inhibitor :	Yes
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	Yes
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-6.71 cm/s

Lipophilicity

Log Po/w (iLOGP) :	2.57
Log Po/w (XLOGP3) :	2.84
Log Po/w (WLOGP) :	5.29
Log Po/w (MLOGP) :	2.37
Log Po/w (SILICOS-IT) :	2.46
Consensus Log Po/w :	3.11

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	0.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	-4.23
Solubility :	0.0235 mg/ml ; 0.000059 mol/l
Class :	Moderately soluble
Log S (Ali) :	-4.51
Solubility :	0.0124 mg/ml ; 0.0000312 mol/l
Class :	Moderately soluble
Log S (SILICOS-IT) :	-5.95
Solubility :	0.000447 mg/ml ; 0.00000112 mol/l
Class :	Moderately soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	2.76

Safety of [ 169590-41-4 ]

Signal Word:		Class:
Precautionary Statements:		UN#:
Hazard Statements:		Packing Group:

Application In Synthesis of [ 169590-41-4 ]

* 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 [ 169590-41-4 ]
Downstream synthetic route of [ 169590-41-4 ]

[ 169590-41-4 ] Synthesis Path-Upstream 1~7

1
[ 170570-77-1 ]
[ 169590-41-4 ]

Reference： [1] Patent: US6376528, 2002, B1,
[2] Patent: US6407140, 2002, B1,
[3] Patent: US5990148, 1999, A,
[4] Patent: US6136839, 2000, A,
[5] Patent: US5700816, 1997, A,
[6] Patent: US6172096, 2001, B2,

2
[ 17852-52-7 ]
[ 170570-77-1 ]
[ 169590-41-4 ]

Yield	Reaction Conditions	Operation in experiment
93.1%	for 16 h; Reflux	Dissolve 7.0 g (28.4 mmol) of 4,4-difluoro-1-(3-fluoro-4-methoxyphenyl)-1,3-butanedione in 150 ml of ethanol and add 7.4 g (33 mmol) of 4 The sulfonamide phenylhydrazine hydrochloride was stirred under reflux for 16 hours. The reaction solution was allowed to cool, and water was added until the crystal slowly precipitated. The product was dried by suction and dried to give a pale yellow product. Yield 87percent.
87%	for 16 h; Heating / reflux	4,4-Difluoro-1-(3-fluoro-4-methoxyphenyl)-butane-1,3-dione from Step 2 (7.0 g, 28.4 mmol) was dissolved in ethanol (150 mL). To the stirred mixture was added 4-sulphonamidophenyl hydrazine hydrochloride (7.4 g, 33 mmol) and stirred at reflux overnight (16 hours). The mixture was cooled and water was added until crystals slowly appeared. The product was isolated by filtration and air dried to provide the desired product as a light tan solid (9.8 g, 87percent): mp 159-161 °C. Anal. Calc'd. for C17H14N3SO3F3: C, 51.38; H, 3.55; N, 10.57. Found: C, 51.46; H, 3.52; N, 10.63.

Reference： [1] Patent: CN107686465, 2018, A, . Location in patent: Paragraph 0043; 0065; 0066
[2] Patent: US6342510, 2002, B1, . Location in patent: Page column 28 - 29
[3] Journal of Medicinal Chemistry, 1997, vol. 40, # 9, p. 1347 - 1365

3
[ 170570-77-1 ]
[ 169590-41-4 ]

Reference： [1] Patent: US5756529, 1998, A,
[2] Patent: US5760068, 1998, A,

4
[ 288-13-1 ]
[ 170570-77-1 ]
[ 169590-41-4 ]

Reference： [1] Patent: US5521207, 1996, A,

5
[ 454-31-9 ]
[ 455-91-4 ]
[ 169590-41-4 ]

Reference： [1] Patent: US5892053, 1999, A,

6
[ 455-91-4 ]
[ 169590-41-4 ]

Reference： [1] Journal of Medicinal Chemistry, 1997, vol. 40, # 9, p. 1347 - 1365

7
[ 321-28-8 ]
[ 169590-41-4 ]

Reference： [1] Patent: CN107686465, 2018, A,

[ 169590-41-4 ] Synthesis Path-Downstream 1~16

1
[ 17852-52-7 ]
[ 170570-77-1 ]
[ 169590-41-4 ]

Yield	Reaction Conditions	Operation in experiment
93.1%	In dichloromethane for 16h; Reflux;	1.3 Step 3: Preparation of 4-[5-(3-fluoro-4-methoxyphenyl)-3-difluoromethyl-1H-imidazol-1-yl]benzenesulfonamide (Compound 3 Dissolve 7.0 g (28.4 mmol) of 4,4-difluoro-1-(3-fluoro-4-methoxyphenyl)-1,3-butanedione in 150 ml of ethanol and add 7.4 g (33 mmol) of 4 The sulfonamide phenylhydrazine hydrochloride was stirred under reflux for 16 hours. The reaction solution was allowed to cool, and water was added until the crystal slowly precipitated. The product was dried by suction and dried to give a pale yellow product. Yield 87%.
87%	In ethanol for 16h; Heating / reflux;	2.3 Preparation of 4-[5-(3-fluoro-4-methoxyhenyl)-3-(difluoromethyl)-1H-pyrazol-1-yl]benzenesulfonamide. 4,4-Difluoro-1-(3-fluoro-4-methoxyphenyl)-butane-1,3-dione from Step 2 (7.0 g, 28.4 mmol) was dissolved in ethanol (150 mL). To the stirred mixture was added 4-sulphonamidophenyl hydrazine hydrochloride (7.4 g, 33 mmol) and stirred at reflux overnight (16 hours). The mixture was cooled and water was added until crystals slowly appeared. The product was isolated by filtration and air dried to provide the desired product as a light tan solid (9.8 g, 87%): mp 159-161 °C. Anal. Calc'd. for C17H14N3SO3F3: C, 51.38; H, 3.55; N, 10.57. Found: C, 51.46; H, 3.52; N, 10.63.
	In ethanol for 20h; Heating; Yield given;

6.45 kg

With hydrogenchloride In ethanol; water monomer at 80 - 85℃; for 6h; Large scale;

1-3 Example 3: Preparation of deracoxib In the 100L reactor, add 15kg of 30% sodium methoxide methanol solution, add 24g of methyl tert-butyl ether, add 3kg of 3-fluoro-4-methoxyacetophenone, and 2.7kg of ethyl difluoroacetate, heat up to 50°C and stir After 6 hours, the solution was distilled to dryness. Add 10L of water and 2.1kg of hydrochloric acid solution with a concentration of 30%; add 4.2kg of 4-sulfonamidophenylhydrazine hydrochloride and 9L of ethanol, heat up at 80-85°C and reflux for 6 hours, cool down to 5°C, filter with suction, and use The filter cake was rinsed with 2L of ethanol, and dried to obtain 6.95kg of crude deracoxib.Add 6.95 kg of the crude product of delacox and 35 kg of water to the 100L reaction kettle, heat to 90° C., dropwise add 30% aqueous sodium hydroxide solution, and adjust the pH to 12-13. The reaction solution was cooled to 20-30° C., filtered with suction to obtain deracoxib sodium salt.Put into the 100L reactor, put in the sodium salt of deracoxide, add 35kg of purified water, slowly heat up to 9095 , add the hydrochloric acid solution with a concentration of 30% dropwise, adjust the pH to 34, suction filtration,After drying, 6.45 kg of the finished product of deracoxib was obtained, with a yield of 90.8% and a purity of 99.85%.

Reference： [1]Current Patent Assignee: NORTHEAST AGRICULTURAL UNIVERSITY IN HARBIN, CHINA - CN107686465, 2018, A Location in patent: Paragraph 0043; 0065; 0066
[2]Current Patent Assignee: PFIZER INC - US6342510, 2002, B1 Location in patent: Page column 28 - 29
[3]Penning, Thomas D.; Talley, John J.; Bertenshaw, Stephen R.; Carter, Jeffery S.; Collins, Paul W.; Docter, Stephen; Graneto, Matthew J.; Lee, Len F.; Malecha, James W.; Miyashiro, Julie M.; Rogers, Roland S.; Rogier; Yu, Stella S.; Anderson, Gary D.; Burton, Earl G.; Cogburn, J. Nita; Gregory, Susan A.; Koboldt, Carol M.; Perkins, William E.; Seibert, Karen; Veenhuizen, Amy W.; Zhang, Yan Y.; Isakson, Peter C. [Journal of Medicinal Chemistry, 1997, vol. 40, # 9, p. 1347 - 1365]
[4]Current Patent Assignee: JIANGSU TIANHE PHARMACEUTICAL - CN114292235, 2022, A Location in patent: Paragraph 0008; 0041-0050

2
[ CAS Unavailable ]
[ 169590-41-4 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 2 steps 1: NaOMe / methanol / 24 h / Heating 2: ethanol / 20 h / Heating

Reference： [1]Penning, Thomas D.; Talley, John J.; Bertenshaw, Stephen R.; Carter, Jeffery S.; Collins, Paul W.; Docter, Stephen; Graneto, Matthew J.; Lee, Len F.; Malecha, James W.; Miyashiro, Julie M.; Rogers, Roland S.; Rogier; Yu, Stella S.; Anderson, Gary D.; Burton, Earl G.; Cogburn, J. Nita; Gregory, Susan A.; Koboldt, Carol M.; Perkins, William E.; Seibert, Karen; Veenhuizen, Amy W.; Zhang, Yan Y.; Isakson, Peter C. [Journal of Medicinal Chemistry, 1997, vol. 40, # 9, p. 1347 - 1365]

Yield	Reaction Conditions	Operation in experiment
		6-[[5-(4-chlorobenzoyl)-1,4-dimethyl-1H-pyrrol-2-yl]methyl]-3(2H)-pyridazinone or RS 57067 (D-2); ... 6-Chloro-2-(trifluoromethyl)-1,2-dihydro[1,8]naphthyridine-3-carboxylic acid (D-16); ((S)-6-Chloro-1,2-dihydro-2-(trifluoromethyl)-3-quinolinecarboxylic acid (D-17); celecoxib (D-18); valdecoxib (D-19); deracoxib (D-20); rofecoxib (D-21); etoricoxib (D-22); parecoxib (D-24)
		wherein the cyclooxygenase-2 selective inhibiting compound is selected from the group consisting of: celecoxib; deracoxib; valdecoxib; parecoxib; rofecoxib; etoricoxib; meloxicam; lumiracoxib; 4-(4-cyclohexyl-2-methyloxazol-5-yl)-2-fluorobenzenesulfonamide; ...
		Particularly preferred compounds of formula (I) include: ... 4-(3-(difluoromethyl)-5-(4-methylphenyl)-1H-pyrazol-1-yl)benzenesulfonamide; 4-(3-(difluoromethyl)-5-phenyl-1-H-pyrazol-1-yl) benzenesulfonamide; 4-(3-(difluoromethyl)-5-(4-methoxyphenyl)-1H-pyrazol-1-yl)benzenesulfonamide; 4-(3-cyano-5-(4-fluorophenyl)-1H-pyrazol-1-yl)benzenesulfonamide; 4-(3-(difluoromethyl)-5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-1-yl)benzenesulfonamide; 4-(5-(3-fluoro-4-methoxyphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)benzenesulfonamide; 4-(4-chloro-5-phenyl-1H-pyrazol-1-yl)benzenesulfonamide; 4-(5-(4-chlorophenyl)-3-(hydroxyphenyl)-1H-pyrazol-1-yl)benzenesulfonamide; ...

		A family of specific compounds of particular interest within Formula I consists of compounds, derivatives and pharmaceutically-acceptable salts thereof as follows: ... 4-[3-(difluoromethyl)-5-(4-methylphenyl)-1H-pyrazol-1-yl]benzenesulfonamide; 4-[3-(difluoromethyl)-5-phenyl-1H-pyrazol-1-yl]benzenesulfonamide; 4-[3-(difluoromethyl)-5-(4-methoxyphenyl)-1H-pyrazol-1-yl]benzenesulfonamide; 4-[3-cyano-5-(4-fluorophenyl)-1H-pyrazol-1-yl]benzenesulfonamide; 4-[3-(difluoromethyl)-5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-1-yl]benzenesulfonamide; 4-[5-(3-fluoro-4-methoxyphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzenesulfonamide; 4-[4-chloro-5-phenyl-1H-pyrazol-1-yl]benzenesulfonamide; 4-[5-(4-chlorophenyl)-3-(hydroxymethyl)-1H-pyrazol-1-yl]benzenesulfonamide; and ...
		MK-966 (Merck & Co); L-752,860 (Merck & Co); L-783003 (Merck & Co); T-614 (Toyama); D-1367 (Chiroscience); L-748731 (Merck & Co); L-745337 (Merck & Co); and compounds of Formula I 4-[5-(4-chlorophenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzenesulfonamide; 4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzenesulfonamide; 4-[5-(3-fluoro-4-methoxyphenyl)-3-(difluoromethyl) -1H-pyrazol-1-yl]benzenesulfonamide; 3-[1-[4-(methylsulfonyl)phenyl]-4-trifluoromethyl-1H-imidazol-2-yl]pyridine; 2-methyl-5-[1-[4-(methylsulfonyl)phenyl]-4-trifluoromethyl-1H-imidazol-2-yl]pyridine; 4-[2-(5-methylpyridin-3-yl)-4-(trifluoromethyl)-1H-imidazol-1-yl]benzenesulfonamide; 4-[5-methyl-3-phenylisoxazol-4-yl]benzenesulfonamide; 4-[5-hydroxymethyl-3-phenylisoxazol-4-yl]benzenesulfonamide; [2-trifluoromethyl-5-(3,4-difluorophenyl)-4-oxazolyl]benzenesulfonamide; ...
		A family of specific compounds of more particular interest within Formula I consists of compounds and pharmaceutically-acceptable salts or derivatives thereof as follows: 4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzenesulfonamide; 4-[5-(4-chlorophenyl)-3-(difluoromethyl)-1H-pyrazol-1-yl]benzenesulfonamide; and 4-[5-(3-fluoro-4-methoxyphenyl)-3-(difluoromethyl)-1H-pyrazol-1-yl]benzenesulfonamide.
		...lar interest consists of compounds and pharmaceutically-acceptable salts thereof as follows: meloxicam (Boehringer Ingelheim); nimesulide (Helsinn); MK-966 (Merck & Co); L-783003 (Merck & Co); T-614 (Toyama); D-1367 (Chiroscience); L-748731 (Merck & Co); L-745337 (Merck & Co); ... 4-[4-chloro-5-(4-chlorophenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzenesulfonamide; 4-[3-(difluoromethyl-5-(4-methylphenyl)-1H-pyrazol-1-yl]benzenesulfonamide; 4-[3-(difluoromethyl)-5-phenyl-1H-pyrazol-1-yl]benzenesulfonamide; 4-[3-(difluoromethyl)-5-(4-methoxyphenyl)-1H-pyrazol-1-yl]benzenesulfonamide; 4-[3-cyano-5-(4-fluorophenyl)-1H-pyrazol-1-yl]benzenesulfonamide; 4-[3-(difluoromethyl)-5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-1-yl]benzenesulfonamide; 4-[5-(3-fluoro-4-methoxyphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzenesulfonamide; 4-[4-chloro-5-phenyl-1H-pyrazol-1-yl]benzenesulfonamide; 4-[5-(4-chlorophenyl)-3-(hydroxymethyl)-1H-pyrazol-1-yl]benzenesulfonamide; ...
		...cted from compounds, and their pharmaceutically acceptable salts, of the group consisting of meloxicam (Boehringer Ingelheim); nimesulide (Helsinn); MK-966 (Merck & Co); L-783003 (Merck & Co); T-614 (Toyama); D-1367 (Chiroscience); L-748731 (Merck & Co); L-745337 (Merck & Co); ... 4-[3-(difluoromethyl)-5-(4-methylphenyl)-1H-pyrazol-1-yl]benzenesulfonamide; 4-[3-(difluoromethyl)-5-phenyl-1H-pyrazol-1-yl]benzenesulfonamide; 4-[3-(difluoromethyl)-5-(4-methoxyphenyl)-1H-pyrazol-1-yl]benzenesulfonamide; 4-[3-cyano-5-(4-fluorophenyl)-1H-pyrazol-1-yl]benzenesulfonamide; 4-[3-(difluoromethyl)-5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-1-yl]benzenesulfonamide; 4-[5-(3-fluoro-4-methoxyphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzenesulfonamide; 4-[4-chloro-5-phenyl-1H-pyrazol-1-yl]benzenesulfonamide; 4-[5-(4-chlorophenyl)-3-(hydroxymethyl)-1H-pyrazol-1-yl]benzenesulfonamide; ...
		A family of specific compounds of particular interest within Formula I consists of compounds, pharmaceutically-acceptable salts and derivatives thereof as follows: ... 4-[3-(difluoromethyl)-5-(4-methylphenyl)-1H-pyrazol-1-yl]benzenesulfonamide; 4-[3-((difluoromethyl)-5-phenyl-1H-pyrazol-1-yl]benzenesulfonamide; 4-[3-(difluoromethyl)-5-(4-methoxyphenyl)-1H-pyrazol-1-yl]benzenesulfonamide; 4-[3-cyano-5-(4-fluorophenyl)-1H-pyrazol-1-yl]benzenesulfonamide; 4-[3-(difluoromethyl)-5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-1-yl]benzenesulfonamide; 4-[5-(3-fluoro-4-methoxyphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzenesulfonamide; 4-[4-chloro-5-phenyl-1H-pyrazol-1-yl]benzenesulfonamide; 4-[5-(4-chlorophenyl)-3-(hydroxymethyl)-1H-pyrazol-1-yl]benzenesulfonamide; and ...
		...alkyl, C1-C6-alkoxycarbonylcyanoalkenyl and C1-C6-hydroxyalkyl; wherein R3 is selected from hydrido, C1-C10-alkyl, cyano, C1-C6-hydroxyalkyl, C3-C7-cycloalkyl, C1-C6-alkylsulfonyl 4-[3-cyano-5-(4-fluorophenyl)-1H-pyrazol-1-yl]benzenesulfonamide; 4-[3-(difluoromethyl)-5-(3-fluoro-4-methoxyphenyl) -1H-pyrazol-1-yl]benzenesulfonamide; 4-[5-(3-fluoro-4-methoxyphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzenesulfonamide; 4-[4-chloro-5-phenyl-1H-pyrazol-1-]benzenesulfonamide; 4-[5-(4-chlorophenyl) -3-(hydroxymethyl)-1H-pyrazol-1-yl]benzenesulfonamide; and 4-[5-(4-(N,N-dimethylamino)phenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzenesulfonamide.
		wherein the selective COX-2 inhibiting agent is selected from the group consisting of rofecoxib, celecoxib, valdecoxib, deracoxib, etoricoxib, 4-(4-cyclohexyl-2-methyloxazol-5-yl)-2-fluorobenzenesulfonamide, 5-chloro-3-(4-(methylsulfonyl)phenyl)-2-(methyl-5-pyridinyl)pyridine, 2-(3,5-difluorophenyl)-3-4-(methylsulfonyl)phenyl)-2-cyclopenten-1-one, N-[[4-(5-methyl-3-phenylisoxazol-4yl]phenyl]sulfonyl]propanamide, ...
		The method of claim 1 wherein the compound is selected from compounds, and their pharmaceutically acceptable salts, selected from the group consisting of ... 4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzenesulfonamide; 4-[3-(difluoromethyl)-5-(4-methylphenyl)-1H-pyrazol-1-yl]benzenesulfonamide; 4-[3-(difluoromethyl)-5-phenyl-1H-pyrazol-1-yl]benzenesulfonamide; 4-[3-(difluoromethyl)-5-(4-methoxyphenyl)-1H-pyrazol-1-yl]benzenesulfonamide; 4-[3-(difluoromethyl)-5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-1-yl]benzenesulfonamide; 4-[5-(3-fluoro-4-methoxyphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzenesulfonamide; and 4-[5-(4-(N,N-dimethylamino)phenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzenesulfonamide.
		The method of claim 8 wherein the compound is selected from compounds, and their pharmaceutically acceptable salts, selected from the group consisting of 4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzenesulfonamide; 4-[5-(4-chlorophenyl)-3-(difluoromethyl)-1H-pyrazol-1-yl]benzenesulfonamide; and 4-[5-(3-fluoro-4-methoxyphenyl)-3-(difluoromethyl)-1H-pyrazol-1-yl]benzenesulfonamide.
		The method of claim 15 wherein the compound is selected from compounds, and their pharmaceutically acceptable salts, selected from the group consisting of ... 4-[3-(difluoromethyl)-5-(4-methylphenyl)-1H-pyrazol-1-yl]benzenesulfonamide; 4-[3-(difluoromethyl)-5-phenyl-1H-pyrazol-1-yl]benzenesulfonamide; 4-[3-(difluoromethyl)-5-(4-methoxyphenyl)-1H-pyrazol-1-yl]benzenesulfonamide; 4-[3-cyano-5-(4-fluorophenyl)-1H-pyrazol-1-yl]benzenesulfonamide; 4-[3-(difluoromethyl)-5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-1-yl]benzenesulfonamide; 4-[5-(3-fluoro-4-methoxyphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzenesulfonamide; 4-[4-chloro-5-phenyl-1H-pyrazol-1-yl]benzenesulfonamide; 4-[5-(4-chlorophenyl)-3-(hydroxymethyl)-1H-pyrazol-1-yl]benzenesulfonamide; ...
		The method of claim 6 wherein the compound is selected from compounds, and their pharmaceutically acceptable salts, selected from the group consisting of ... 4-[3-(difluoromethyl)-5-(4-methylphenyl)-1H-pyrazol-1-yl]benzenesulfonamide; 4-[3-(difluoromethyl)-5-phenyl-1H-pyrazol-1-yl]benzenesulfonamide; 4-[3-(difluoromethyl)-5-(4-methoxyphenyl)-1H-pyrazol-1-yl]benzenesulfonamide; 4-[3-cyano-5-(4-fluorophenyl)-1H-pyrazol-1-yl]benzenesulfonamide; 4-[3-(difluoromethyl)-5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-1-yl]benzenesulfonamide; 4-[5-(3-fluoro-4-methoxyphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzenesulfonamide; 4-[4-chloro-5-phenyl-1H-pyrazol-1-yl]benzenesulfonamide; 4-[5-(4-chlorophenyl)-3-(hydroxymethyl)-1H-pyrazol-1-yl]benzenesulfonamide; ...
		A family of specific compounds of particular interest within Formula I consists of compounds, derivatives and pharmaceutically-acceptable salts thereof as follows: ... 4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzenesulfonamide; 4-[3-(difluoromethyl)-5-(4-methylphenyl)-1H-pyrazol-1-yl]benzenesulfonamide; 4-[3-(difluoromethyl)-5-phenyl-1H-pyrazol-1-yl]benzenesulfonamide; 4-[3-(difluoromethyl)-5-(4-methoxyphenyl)-1H-pyrazol-1-yl]benzenesulfonamide; 4-[3-(difluoromethyl)-5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-1-yl]benzenesulfonamide; and 4-[5-(3-fluoro-4-methoxyphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzenesulfonamide.
		The method of claim 8 wherein the compound is selected from compounds, and their pharmaceutically acceptable salts, selected from the group consisting of ... 4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzenesulfonamide; 4-[3-(difluoromethyl)-5-(4-methylphenyl)-1H-pyrazol-1-yl]benzenesulfonamide; 4-[3-(difluoromethyl)-5-phenyl-1H-pyrazol-1-yl]benzenesulfonamide; 4-[3-(difluoromethyl)-5-(4-methoxyphenyl)-1H-pyrazol-1-yl]benzenesulfonamide; 4-[3-(difluoromethyl)-5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-1-yl]benzenesulfonamide; and 4-[5-(3-fluoro-4-methoxyphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzenesulfonamide.
		A family of specific compounds of more particular interest within Formula I consists of compounds and pharmaceutically-acceptable salts or derivatives thereof as follows: 4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzenesulfonamide; 4-[5-(4-chlorophenyl)-3-(difluoromethyl)-1H-pyrazol-1-yl]benzenesulfonamide; and 4-[5-(3-fluoro-4-methoxyphenyl)-3-(difluoromethyl)-1H- pyrazol-1-yl]benzenesulfonamide.
		A family of specific compounds of more particular interest within Formula I consists of compounds and pharmaceutically-acceptable salts thereof as follows: 4-[5-(4-chlorophenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzenesulfonamide; 4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-l-yl]benzenesulfonamide; 4-[5-(3-fluoro-4-methoxyphenyl)-3-(difluoromethyl)-1H-pyrazol-1-yl]benzenesulfonamide; 3-[1-[4-(methylsulfonyl)phenyl]-4-trifluoromethyl-1H-imidazol-2-yl]pyridine; 2-methyl-5-[1-[4-(methylsulfonyl)phenyl]-4-trifluoromethyl-1H-imidazol-2-yl]pyridine; 4-[2-(5-methylpyridin-3-yl)-4-(trifluoromethyl)-1H-imidazol-1-yl]benzenesulfonamide; 4-[5-methyl-3-phenylisoxazol-4-yl]benzenesulfonamide; 4-[5-hydroxymethyl-3-phenylisoxazol-4-yl]benzenesulfonamide; [2-trifluoromethyl-5-(3,4-difluorophenyl)-4-oxazolyl]benzenesulfonamide; ...
		The method of claim 2 wherein the compound is selected from compounds, and their pharmaceutically acceptable salts, selected from the group consisting of ... 4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzenesulfonamide; 4-[3-(difluoromethyl)-5-(4-methylphenyl)-1H-pyrazol-1-yl]benzenesulfonamide; 4-[3-(difluoromethyl)-5-phenyl-1H-pyrazol-1-yl]benzenesulfonamide; 4-[3-(difluoromethyl)-5-(4-methoxyphenyl)-1H-pyrazol-1-yl]benzenesulfonamide; 4-[3-(difluoromethyl)-5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-1-yl]benzenesulfonamide; 4-[5-(3-fluoro-4-methoxyphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzenesulfonamide; and 4-[5-(4-(N,N-dimethylamino)phenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzenesulfonamide.
		Particularly preferred compounds of formula (I) include: ... 4-(3-(difluoromethyl)-5-(4-methylphenyl)-1H-pyrazol-1-yl)benzenesulfonamide; 4-(3-(difluoromethyl)-5-phenyl-1H-pyrazol-1-yl)benzenesulfonamide; 4-(3-(difluoromethyl)-5-(4-methoxyphenyl)-1H-pyrazol-1-yl)benzene sulfonamide; 4-(3-cyano-5-(4-fluorophenyl)-1H-pyrazol-1-yl)benzenesulfonamide; 4-(3-(difluoromethyl)-5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-1-yl)benzenesulfonamide; 4-(5-(3-fluoro-4-methoxyphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)benzenesulfonamide; 4-(4-chloro-5-phenyl-1H-pyrazol-1-yl)benzenesulfonamide; 4-(5-(4-chlorophenyl)-3-(hydroxyphenyl)-1H-pyrazol-1-yl)benzenesulfonamide; ...
		Particularly preferred compounds of formula (I) include: ... 4-(3-(difluoromethyl)-5-(4-methylphenyl)-1H-pyrazol-1-yl)benzenesulfonamide; 4-(3-(difluoromethyl)-5-phenyl-1H-pyrazol-1-yl)benzenesulfonamide; 4-(3-(difluoromethyl)-5-(4-methoxyphenyl)-1H-pyrazol-1-yl)benzenesulfonamide; 4-(3-cyano-5-(4-fluorophenyl)-1H-pyrazol-1-yl)benzenesulfonamide; 4-(3-(difluoromethyl)-5-(3-fluoro-4-methoxyphenyl)1H-pyrazol-1-yl)benzenesulfonamide; 4-(5-(3-fluoro-4-methoxyphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)benzenesulfonamide; 4-(4-chloro-5-phenyl-1H-pyrazol-1-yl)benzenesulfonamide; 4-(5-(4-chlorophenyl)-3-(hydroxyphenyl)-1H-pyrazol-1-yl)benzenesulfonamide; ...
		Particularly preferred compounds of formula (I) include: ... 4-(3-(difluoromethyl)-5-(4-methylphenyl)-1H-pyrazol-1-yl)benzenesulfonamide; 4-(3-(difluoromethyl)-5-phenyl-1H-pyrazol-1-yl)benzenesulfonamide; 4-(3-(difluoromethyl)-5-(4-methoxyphenyl)-1H-pyrazol-1-yl)benzenesulfonamide; 4-(3-cyano-5-(4-fluorophenyl)-1H-pyrazol-1-yl)benzenesulfonamide; 4-(3-(difluoromethyl)-5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-1-yl)benzenesulfonamide; 4-(5-(3-fluoro-4-methoxyphenyl)-3-(trifluoromethyl)- 1H-pyrazol-1-yl)benzenesulfonamide; 4-(4-chloro-5-phenyl-1H-pyrazol-1-yl)benzenesulfonamide; 4-(5-(4-chlorophenyl)-3-(hydroxyphenyl)-1H-pyrazol-1-yl)benzenesulfonamide; ...
		Particularly preferred compounds of formula (I) include: ... 4-(3-(difluoromethyl)-5-(4-methylphenyl)-1H-pyrazol-1-yl)benzenesulfonamide; 4-(3-(difluoromethyl)-5-phenyl-1H-pyrazol-1-yl)benzenesulfonamide; 4-(3-(difluoromethyl)-5-(4-methoxyphenyl)-1H-pyrazol-1-yl)benzenesulfonamide; 4-(3-cyano-5-(4-fluorophenyl)-1H-pyrazol-1-yl)benzenesulfonamide; 4-(3-(difluoromethyl)-5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-1-yl)benzenesulfonamide; 4-(5-(3-fluoro-4-methoxyphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)benzenesulfonamide; 4-(4-chloro-5-phenyl-1H-pyrazol-1-yl)benzenesulfonamide; 4-(5-(4-chlorophenyl)-3-(hydroxyphenyl)-1H-pyraxol-1-yl)benzenesulfonamide; ...
		Use according to Claim 1 wherein the compound is selected from compounds, and their pharmaceutically acceptable salts, of the group consisting of ... 4-[3-(difluoromethyl)-5-phenyl-1H-pyrazol-1-yl]benzenesulfonamide; 4-[3-(difluoromethyl)-5-(4-methoxyphenyl)-1H-pyrazol-1-yl]benzenesulfonamide; 4-[3-(difluoromethyl)-5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-1-yl]benzenesulfonamide; 4-[5-(3-fluoro-4-methoxyphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzenesulfonamide; and ...
		Use according to Claim 7 wherein the compound is selected from compounds, and their pharmaceutically acceptable salts, of the group consisting of ... 4-[3-(difluoromethyl)-5-phenyl-1H-pyrazol-1-yl]benzenesulfonamide; 4-[3-(difluoromethyl)-5-(4-methoxyphenyl)-1H-pyrazol-1-yl]benzenesulfonamide; 4-[3-(difluoromethyl)-5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-1-yl]benzenesulfonamide; 4-[5-(3-fluoro-4-methoxyphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzenesulfonamide; and ...
		Formula II consists of compounds and pharmaceutically-acceptable salts or derivatives thereof as follows: 4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzenesulfonamide; 4-[5-(4-chlorophenyl)-3-(difluoromethyl)-1H-pyrazol-1-yl]benzenesulfonamide; and 4-[5-(3-fluoro-4-methoxyphenyl)-3-(difluoromethyl)-1H-pyrazol-1-yl]benzenesulfonamide.
		A family of specific compounds of particular interest within Formula I consists of compounds and pharmaceutically-acceptable salts thereof as follows: ... 4-[3-(difluoromethyl)-5-(4-methylphenyl)-1H-pyrazol-1-yl]benzenesulfonamide; 4-[3-(difluoromethyl)-5-phenyl-1H-pyrazol-1-yl]benzenesulfonamide; 4-[3-(difluoromethyl)-5-(4-methoxyphenyl)-1H-pyrazol-1-yl]benzenesulfonamide; 4-[3-cyano-5-(4-fluorophenyl)-1H-pyrazol-1-yl]benzenesulfonamide; 4-[3-(difluoromethyl)-5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-1-yl]benzenesulfonamide; 4-[5-(3-fluoro-4-methoxyphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzenesulfonamide; 4-[4-chloro-5-phenyl-1H-pyrazol-1-yl]benzenesulfonamide; 4-[5-(4-chlorophenyl)-3-(hydroxymethyl)-1H-pyrazol-1-yl]benzenesulfonamide; ...
		A family of specific compounds of particular interest within Formula II consists of compounds, pharmaceutically-acceptable salts and derivatives thereof as follows: ... 4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzenesulfonamide; 4-[3-(difluoromethyl)-5-(4-methylphenyl)-1H-pyrazol-1-yl]benzenesulfonamide; 4-[3-(difluoromethyl)-5-phenyl-1H-pyrazol-1-yl]benzenesulfonamide; 4-[3-(difluoromethyl)-5-(4-methoxyphenyl)-1H-pyrazol-1-yl]benzenesulfonamide; 4-[3-(difluoromethyl)-5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-1-yl]benzenesulfonamide; 4-[5-(3-fluoro-4-methoxyphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzenesulfonamide; and 4-[5-(4-(N,N-dimethylamino)phenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzenesulfonamide.
		The use of Claim 2 wherein the compound is selected from compounds, and their pharmaceutically acceptable salts, of the group consisting of ... 4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzenesulfonamide; 4-[3-(difluoromethyl)-5-(4-methylphenyl)-1H-pyrazol-1-yl]benzenesulfonamide; 4-[3-(difluoromethyl)-5-phenyl-1H-pyrazol-1-yl]benzenesulfonamide; 4-[3-(difluoromethyl)-5-(4-methoxyphenyl)-1H-pyrazol-1-yl]benzenesulfonamide; 4-[3-(difluoromethyl)-5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-1-yl]benzenesulfonamide; and 4-[5-(3-fluoro-4-methoxyphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzenesulfonamide.
		A family of specific compounds of particular interest within Formula I consists of compounds and pharmaceutically-acceptable salts thereof as follows: 3-(3,4-difluorophenyl)-4-(4-methylsulfonylphenyl)-2-(5H)-furanone; 3-phenyl-4-4-methylsulfonylphenyl)-2-(5H)-furanone; 4-[5-(4-chlorophenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzenesulfonamide; 4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzenesulfonamide; 4-[5-(3-fluoro-4-methoxyphenyl)-3-(difluoromethyl)-1H-pyrazol-1-yl]benzenesulfonamide; 3-[1-[4-(methylsulfonyl)phenyl]-4-trifluoromethyl-1H-imidazol-2-yl]pyridine; 2-methyl-5-[1-[4-(methylsulfonyl)phenyl]-4-trifluoromethyl-1H-imidazol-2-yl]pyridine; 4-[2-(5-methylpyridin-3-yl)-4-(trifluoromethyl)-1H-imidazol-1-yl]benzenesulfonamide; 4-[5-methyl-3-phenylisoxazol-4-yl]benzenesulfonamide; ...
		Use according to Claim 16 wherein the compound is selected from compounds, and their pharmaceutically acceptable salts, of the group consisting of 4-[5-(4-chlorophenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzenesulfonamide; 4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzenesulfonamide; 4-[5-(3-fluoro-4-methoxyphenyl)-3-(difluoromethyl)-1H-pyrazol-1-yl]benzenesulfonamide; 3-[1-[4-(methylsulfonyl)phenyl]-4-trifluoromethyl-1H-imidazol-2-yl]pyridine; 2-methyl-5-[1-[4-(methylsulfonyl)phenyl]-4-trifluoromethyl-1H-imidazol-2-yl]pyridine; ...
		A family of specific compounds of more particular interest within Formula II consists of compounds and pharmaceutically-acceptable salts or derivatives thereof as follows: 4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzenesulfonamide; 4-[5-(4-chlorophenyl)-3-(difluoromethyl)-1H-pyrazol-1-yl]benzenesulfonamide; and 4-[5-(3-fluoro-4-methoxyphenyl)-3-(difluoromethyl)-1H-pyrazol-1-yl]benzenesulfonamide.
		A family of specific compounds of particular interest within Formula II consists of compounds, pharmaceutically-acceptable salts and derivatives thereof as follows: ... 4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzenesulfonamide: 4- [3- (difluoromethyl) -5-(4-methylphenyl) -1H-pyrazol-1-yl]benzenesulfonamide; 4-[3-(difluoromethyl)-5-phenyl-1H-pyrazol-1-yl]benzenesulfonamide; 4-[3-(difluoromethyl)-5-(4-methoxyphenyl)-1H-pyrazol-1-yl]benzenesulfonamide; 4-[3-(difluoromethyl)-5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-1-yl]benzenesulfonamide; and 4-[5-(3-fluoro-4-methoxyphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzenesulfonamide.
		A family of specific compounds of more particular interest within Formula I consists of compounds and pharmaceutically-acceptable salts thereof as follows: 4-[5-(4-chlorophenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzenesulfonamide; 4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzenesulfonamide; 4-[5-(3-fluoro-4-methoxyphenyl)-3-(difluoromethyl)-1H-pyrazol-1-yl]benzenesulfonamide; 3-[1-[4-(methylsulfonyl)phenyl]-4-trifluoromethyl-1H-imidazol-2-yl]pyridine; 2-methyl-5-[1-[4-(methylsulfonyl)phenyl]-4-trifluoromethyl-1H-imidazol-2-yl]pyridine; 4-[2-(5-methylpyridin-3-yl)-4-(trifluoromethyl)-1H-imidazol-1-yl]benzenesulfonamide; 4-[5-methyl-3-phenylisoxazol-4-yl]benzenesulfonamide; 4-[5-hydroxymethyl-3-phenylisoxazol-4-yl]benzenesulfonamide; [2-trifluoromethyl-5-(3,4-difluorophenyl)-4-oxazolyl]benzenesulfonamide; ...
		Use according to Claim 15 wherein the compound is selected from compounds, and their pharmaceutically acceptable salts, of the group consisting of ... 4-(3-(difluoromethyl)-5-(4-methoxyphenyl)-1H-pyrazol-1-yl]benzenesulfonamide; 4-[3-cyano-5-(4-fluorophenyl)-1H-pyrazol-1-yl]benzenesulfonamide; 4-[3-(difluoromethyl)-5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-1-yl]benzenesulfonamide; 4-[5-(3-fluoro-4-methoxyphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzenesulfonamide; ...
		The use of Claim 7 wherein the compound is selected from compounds, and their pharmaceutically acceptable salts, of the group consisting of ... 4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzenesulfonamide; 4-[3-(difluoromethyl)-5-(4-methylphenyl)-1H-pyrazol-1-yl]benzenesulfonamide; 4-[3-(difluoromethyl)-5-phenyl-1H-pyrazol-1-yl]benzenesulfonamide; 4-[3-(difluoromethyl)-5-(4-methoxyphenyl)-1H-pyrazol-1-yl]benzenesulfonamide; 4-[3-(difluoromethyl)-5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-1-yl]benzenesulfonamide; and 4-[5-(3-fluoro-4-methoxyphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzenesulfonamide.
		Particularly preferred compounds of formula (I) include: ... 4-(3-(difluoromethyl)-5-(4-methylphenyl)-1H-pyrazol-1-yl)benzenesulfonamide; 4-(3-(difluoromethyl)-5-phenyl-1H-pyrazol-1-yl)benzenesulfonamide; 4-(3-(difluoromethyl)-5-(4-methoxyphenyl)-1H-pyrazol-1-yl)benzenesulfonamide; 4-(3-cyano-5-(4-fluorophenyl)-1H-pyrazol-1-yl)benzenesulfonamide; 4-(3-(difluoromethyl)-5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-1-yl)benzenesulfonamide; 4-(5-(3-fluoro-4-methoxyphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)benzenesulfonamide; 4-(4-chloro-5-phenyl-1H-pyrazol-1-yl)benzenesulfonamide; 4-(5-(4-chlorophenyl)-3-(hydroxyphenyl)-1H-pyrazol-1-yl)benzenesulfonamide; ...

4
[ CAS Unavailable ]
[ 170570-77-1 ]
[ 169590-41-4 ]

Yield	Reaction Conditions	Operation in experiment
87%	In ethanol; water	2.3 Step 3 Step 3 Preparation of 4-[5-(3-fluoro-4-methoxyphenyl)-3-(difluoromethyl)-1H-pyrazol-1-yl]benzenesulfonamide 4,4-Difluoro-1-(3-fluoro-4-methoxyphenyl)-butane-1,3-dione from Step 2 (7.0 g, 28.4 mmol) was dissolved in ethanol (150 mL). To the stirred mixture was added 4-sulphonamidophenyl hydrazine hydrochloride (7.4 g, 33 mmol) and stirred at reflux overnight (16 hours). The mixture was cooled and water was added until crystals slowly appeared. The product was isolated by filtration and air dried to provide the desired product as a light tan solid (9.8 g, 87%): mp 159-161° C. Anal. Calc'd. for C17H14N3SO3F3: C, 51.38; H, 3.55; N, 10.57. Found: C, 51.46; H, 3.52; N, 10.63.
87%	In ethanol; water	2.3 Step 3: Step 3: Preparation of 4-[5-(3-fluoro-4-methoxyphenyl)-3-(difluoromethyl)-1H-pyrazol-1-yl]benzenesulfonamide 4,4-Difluoro-l-(3-fluoro-4-methoxyphenyl)-butane-1,3-dione from Step 2 (7.0 g, 28.4 mmol) was dissolved in ethanol (150 mL). To the stirred mixture was added 4-sulphonamidophenyl hydrazine hydrochloride (7.4 g, 33 mmol) and stirred at reflux overnight (16 hours). The mixture was cooled and water was added until crystals slowly appeared. The product was isolated by filtration and air dried to provide the desired product as a light tan solid (9.8 g, 87%): mp 159-161° C. Anal. Cal'd. for C71H14N3SO3F3: C, 51.38; H, 3.55; N, 10.57. Found: C, 51.46; H, 3.52; N, 10.63.
87%	In ethanol; water	2.3 4-[5-(3-Fluoro-4-methoxyphenyl)-3-(difluoromethyl) -1 H-pyrazol-1-yl] benzenesulfonamide Step 3: Preparation of 4-[5-(3-fluoro-4-methoxyphenyl)-3-(difluoromethyl)-1H-pyrazol-1-yl]benzenesulfonamide. 4,4-Difluoro-1-(3-fluoro-4-methoxyphenyl)-butane-1,3-dione from Step 2 (7.0 g, 28.4 mmol) was dissolved in ethanol (150 mL). To the stirred mixture was added 4-sulphonamidophenyl hydrazine hydrochloride (7.4 g, 33 mmol) and stirred at reflux overnight (16 hours). The mixture was cooled and water was added until crystals slowly appeared. The product was isolated by filtration and air dried to provide the desired product as a light tan solid (9.8 g, 87%): mp 159-161° C. Anal. Calc'd. for C17 H14 N3 SO3 F3: C, 51.38; H, 3.55; N, 10.57. Found: C, 51.46; H, 3.52; N, 10.63.

87%	In ethanol; water	2.3 Step 3 Step 3 Preparation of 4-[5-(3-fluoro-4-methoxyphenyl)-3-(difluoromethyl)-1H-pyrazol-1-yl]benzenesulfonamide 4,4-Difluoro-1-(3-fluoro-4-methoxyphenyl)-butane-1,3-dione from Step 2 (7.0 g, 28.4 mmol) was dissolved in ethanol (150 mL). To the stirred mixture was added 4-sulphonamidophenyl hydrazine hydrochloride (7.4 g, 33 mmol) and stirred at reflux overnight (16 hours). The mixture was cooled and water was added until crystals slowly appeared. The product was isolated by filtration and air dried to provide the desired product as a light tan solid (9.8 g, 87%): mp 159-161° C. Anal. Calc'd. for C17 H14 N3 SO3 F3: C, 51.38; H, 3.55; N, 10.57. Found: C, 51.46; H, 3.52; N, 10.63.
87%	In ethanol; water	2.3 Preparation of 4-[5-(3-fluoro-4-methoxyphenyl)-3-(difluoromethyl)-1H-pyrazol-1-yl]benzenesulfonamide Step 3 Preparation of 4-[5-(3-fluoro-4-methoxyphenyl)-3-(difluoromethyl)-1H-pyrazol-1-yl]benzenesulfonamide 4,4-Difluoro-1-(3-fluoro-4-methoxyphenyl)-butane-1,3-dione from Step 2 (7.0 g, 28.4 mmol) was dissolved in ethanol (150 mL). To the stirred mixture was added 4-sulphonamidophenyl hydrazine hydrochloride (7.4 g, 33 mmol) and stirred at reflux overnight (16 hours). The mixture was cooled and water was added until crystals slowly appeared. The product was isolated by filtration and air dried to provide the desired product as a light tan solid (9.8 g, 87%): mp 159°-161° C.; Anal. Calc'd. for C17 H14 N3 SO3 F3: C, 51.38; H, 3.55; N, 10.57. Found: C, 51.46; H, 3.52; N, 10.63.
87%	In ethanol; water	2.3 4-[5-(3-Fluoro-4-methoxyphenyl)-3-(difluoromethyl)-1H-pyrazol-1-yl]benzenesulfonamide Step 3: Preparation of 4-[5-(3-fluoro-4-methoxyphenyl)-3-(difluoromethyl)-1H-pyrazol-1-yl]benzenesulfonamide. 4,4-Difluoro-1-(3-fluoro-4-methoxyphenyl)-butane-1,3-dione from Step 2 (7.0 g, 28.4 mmol) was dissolved in ethanol (150 mL). To the stirred mixture was added 4-sulphonamidophenyl hydrazine hydrochloride (7.4 g, 33 mmol) and stirred at reflux overnight (16 hours). The mixture was cooled and water was added until crystals slowly appeared. The product was isolated by filtration and air dried to provide the desired product as a light tan solid (9.8 g, 87%): mp 159-161° C. Anal. Calc'd. for C17H14N3SO3F3: C, 51.38; H, 3.55; N, 10.57. Found: C, 51.46; H, 3.52; N, 10.63.

Reference： [1]Current Patent Assignee: PFIZER INC - US6376528, 2002, B1
[2]Current Patent Assignee: PFIZER INC - US6407140, 2002, B1
[3]Current Patent Assignee: PFIZER INC - US5990148, 1999, A
[4]Current Patent Assignee: PFIZER INC - US6136839, 2000, A
[5]Current Patent Assignee: PFIZER INC - US5700816, 1997, A
[6]Current Patent Assignee: G. D. Searle & Co. - US6172096, 2001, B2

5
[ 454-31-9 ]
[ CAS Unavailable ]
[ 169590-41-4 ]

Yield	Reaction Conditions	Operation in experiment
	With hydrogenchloride; sodium methylate In methanol; ethanol; tert-butyl methyl ether; water	2 4-[5-(3-Fluoro-4-methoxyphenyl)-3-difluoromethyl-1H-pyrazol-1-yl]benzenesulfonamide EXAMPLE 2 4-[5-(3-Fluoro-4-methoxyphenyl)-3-difluoromethyl-1H-pyrazol-1-yl]benzenesulfonamide To a solution of 4'-methoxy-3'-fluoroacetophenone (21.5 g, 128 mmol) in 137 ml of methyl t-butyl ether (MTBE) was added ethyl difluoroacetate (16.6 ml, 166 mmol) at 25° C. Sodium methoxide (25 wt%) in methanol (35.0 ml, 154 mmol) was added. The mixture was heated to reflux for 3 hours (pot temperature reached to 54° C. in 15 minutes). Prepare a slurry of 4-sulphonamidophenylhydrazine hydrochloride 28.6 g, 128 mmol in 200 ml of EtOH. To above solution was added water (246 ml), 37% HCl (12.8 ml, 154 mmol) and 4-sulphonamidophenylhydrazine hydrochloride (3.58 g, 16 mmol) in 200 ml EtOH. The mixture was heated to reflux for 3 hours (pot temperature reached 62° C.). The solution was cooled to 5+-5° C. to precipitate the product which was filtered and washed with water. The product was recrystallized from ethyl acetate and water to give a white solid (39.95 g, mp 162-163° C.).

Reference： [1]Current Patent Assignee: PFIZER INC - US5892053, 1999, A

6
[ 288-13-1 ]
[ CAS Unavailable ]
[ 170570-77-1 ]
[ 169590-41-4 ]

Yield	Reaction Conditions	Operation in experiment
87%	In ethanol; water	31.3 Step 3 Step 3 Preparation of 4-[5-(3-fluoro-4-methoxyphenyl)-3-(difluoromethyl)-1H-pyrazol-1-yl]benzenesulfonamide 4,4-Difluoro-1-(3-fluoro-4-methoxyphenyl)-butane-1,3-dione from Step 2 (7.0 g, 28.4 mmol) was dissolved in ethanol (150 mL). To the stirred mixture was added 4-sulphonamidophenyl hydrazine hydrochloride (7.4 g, 33 mmol) and stirred at reflux overnight (16 hours). The mixture was cooled and water was added until crystals slowly appeared. The product was isolated by filtration and air dried to provide the desired product as a light tan solid (9.8 g, 87%): mp 159°-161° C.; 1 H NMR (D6 -DMSO) 7.85 (d, 2H), 7.5 (m, 6H), 7.3-6.9 (m, 5H), 3.8 (s 3H). Anal. calculated for C17 H14 N3 SO3 F3: C, 51.38; H, 3.55; N, 10.57. Found: C, 51.46; H, 3.52; N, 10.63.

Reference： [1]Current Patent Assignee: ZOETIS INC. - US5521207, 1996, A

7
[ 170570-77-1 ]
[ 169590-41-4 ]

Yield	Reaction Conditions	Operation in experiment
87%	In ethanol; water	59.3 Step 3 Step 3 Preparation of 4-[5-(3-fluoro-4-methoxyphenyl)-3-(difluoromethyl)-1H-pyrazol-1-yl]benzenesulfonamide 4,4-Difluoro-1-(3-fluoro-4-methoxyphenyl)butane-1,3-dione from Step 2 (7.0 g, 28.4 mmol) was dissolved in ethanol (150 mL). To the stirred mixture was added 4-sulphonamidophenylhydrazine hydrochloride (7.4 g, 33 mmol) and stirred at reflux overnight (16 hours). The mixture was cooled and water was added until crystals slowly appeared. The product was isolated by filtration and air dried to provide the desired product as a light tan solid (9.8 g, 87%): mp 159°-161° C.; 1 H NMR (DMSO-d6) 7.85 (d, 2H), 7.5 (m, 6H), 7.3-6.9 (m, 5H), 3.8 (s 3H). Anal. Calc'd for C17 H14 N3 SO3 F3: C, 51.38; H, 3.55; N, 10.57. Found: C, 51.46; H, 3.52; N, 10.63.
87%	In ethanol; water	59.3 Step 3: Step 3: Preparation of 4-[5-(3-fluoro-4-methoxyphenyl)-3-(difluoromethyl)-1H-pyrazol-1-yl]benzenesulfonamide 4,4-Difluoro-1-(3-fluoro-4-methoxyphenyl)-butane-1,3-dione from Step 2 (7.0 g, 28.4 mmol) was dissolved in ethanol (150 mL). To the stirred mixture was added 4-sulphonamidophenylhydrazine hydrochloride (7.4 g, 33 mmol) and stirred at reflux overnight (16 hours). The mixture was cooled and water was added until crystals slowly appeared. The product was isolated by filtration and air dried to provide the desired product as a light tan solid (9.8 g, 87%): mp 159°-161° C.; 1 H NMR (DMSO-d6) 7.85 (d, 2H), 7.5 (m, 6H), 7.3-6.9 (m, 5H), 3.8 (s 3H). Anal. Calc'd for C17 H14 N3 SO3 F3: C, 51.38; H, 3.55; N, 10.57. Found: C, 51.46; H, 3.52; N, 10.63.

Reference： [1]Current Patent Assignee: PFIZER INC - US5756529, 1998, A
[2]Current Patent Assignee: ZOETIS INC. - US5760068, 1998, A

8
[ CAS Unavailable ]
[ 169590-41-4 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 3 steps 1.1: aluminum (III) chloride / dichloromethane / 0.17 h / 5 - 10 °C / Cooling with ice 1.2: 1 h / 5 °C 2.1: sodium methylate / dichloromethane / 48 h 3.1: dichloromethane / 16 h / Reflux

Reference： [1]Current Patent Assignee: NORTHEAST AGRICULTURAL UNIVERSITY IN HARBIN, CHINA - CN107686465, 2018, A

9
[ 2613217-09-5 ]
[ 17852-52-7 ]
[ 169590-41-4 ]

Yield	Reaction Conditions	Operation in experiment
95%	With acetic acid In ethanol at 80℃; for 10h; regioselective reaction;

Reference： [1]Wan, Chao; Pang, Jian-Yu; Jiang, Wei; Zhang, Xiao-Wei; Hu, Xiang-Guo [Journal of Organic Chemistry, 2021, vol. 86, # 6, p. 4557 - 4566]

10
[ 2173158-89-7 ]
[ 169590-41-4 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 2 steps 1: (R,R)-N,N'-dimethyl-1,2-diaminocyclohexane; copper(l) iodide / 1,4-dioxane / 36 h / 140 °C / Schlenk technique; Inert atmosphere 2: acetic acid / ethanol / 10 h / 80 °C

Reference： [1]Wan, Chao; Pang, Jian-Yu; Jiang, Wei; Zhang, Xiao-Wei; Hu, Xiang-Guo [Journal of Organic Chemistry, 2021, vol. 86, # 6, p. 4557 - 4566]

11
[ 169590-41-4 ]
[ 1794780-24-7 ]

Yield	Reaction Conditions	Operation in experiment
	With C₃₇H₅₂ClIrN₂; deuterium In dichloromethane at 25℃; for 2h;

Reference： [1]Kerr, William J.; Knox, Gary J.; Reid, Marc; Tuttle, Tell [Chemical Science, 2021, vol. 12, # 19, p. 6747 - 6755]

12
[ 169590-41-4 ]
[ 2648050-98-8 ]

Yield	Reaction Conditions	Operation in experiment
	With C₄₃H₆₄ClIrN₂; deuterium In dichloromethane at 25℃; for 2h;

Reference： [1]Kerr, William J.; Knox, Gary J.; Reid, Marc; Tuttle, Tell [Chemical Science, 2021, vol. 12, # 19, p. 6747 - 6755]

13
[ 1246861-73-3 ]
[ 169590-41-4 ]
[ 2898541-01-8 ]

Yield	Reaction Conditions	Operation in experiment
67 %	Stage #1: 2-cyclohexyl-2-methyl-2,3-dihydroquinazolin-4(1H)-one; deracoxib With potassium phosphate; tetrakis(actonitrile)copper(I) hexafluorophosphate; 3,4,7,8-Tetramethyl-o-phenanthrolin In benzene at 25℃; Inert atmosphere; Sealed tube; Stage #2: With tert-Butyl perbenzoate In benzene at 65℃; Inert atmosphere; Sealed tube;

Reference： [1]Lv, Xin-Yang; Abrams, Roman; Martin, Ruben [Angewandte Chemie - International Edition, 2023, vol. 62, # 8][Angew. Chem., 2023, vol. 135, # 8]

14
[ CAS Unavailable ]
[ 169590-41-4 ]
[ 2940988-73-6 ]

Yield	Reaction Conditions	Operation in experiment
45%	With iron(III) chloride; sodium phosphate In dichloromethane at 20℃; Inert atmosphere; Sealed tube; Irradiation;	General Procedure D General procedure: In a nitrogen-filled glovebox, an oven-dried 6-mL vial equipped with a stir bar is charged withFeCl3 (0.097 g, 3.0 equiv, 0.60 mmol), Na3PO4 (0.098 g, 3.0 equiv, 0.60 mmol), the carboxylicacid (1.0 equiv, 0.20 mmol), the sulfonamide (3.0 equiv, 0.60 mmol), and methylene chloride (2.0mL, 0.10 M). The vial is sealed, removed from the glovebox, and irradiated at 427 nm with two 40W Kessil Lamp PR160 lamps at a distance of 10 cm with stirring at 1000 rpm. A fan is used tomaintain the vial at room temperature. After 24 h, the crude reaction mixture is diluted with 1.5mL EtOAc and adsorbed directly on diatomaceous earth (Celite). The product is purified by flashchromatography on silica gel, eluting with mixtures of ethyl acetate in hexanes.

Reference： [1]Lutovsky, Grace A.; Gockel, Samuel N.; Bundesmann, Mark W.; Bagley, Scott W.; Yoon, Tehshik P. [Chem, 2023, vol. 9, # 6, p. 1610 - 1621]

15
[ 169590-41-4 ]
[ 2950949-91-2 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 2 steps 1: titanium tetrachloride; triethylamine / 1,2-dichloro-ethane / 6 h / Inert atmosphere; Reflux 2: (4,4'-di-tert-butyl-2,2'-dipyridyl)-bis-(2-phenylpyridine(-1H))-iridium(III) hexafluorophosphate / ethyl acetate / 3 h / 40 °C / Inert atmosphere; Irradiation

Reference： [1]Sang, Ji-Wei; Du, Peiyu; Xia, Dingding; Zhang, Yu; Wang, Jinxin; Zhang, Wei-Dong [Chemistry - A European Journal, 2023]

16
[ CAS Unavailable ]
[ 169590-41-4 ]
[ 2950950-05-5 ]

Yield	Reaction Conditions	Operation in experiment
	With titanium tetrachloride; triethylamine In 1,2-dichloro-ethane Inert atmosphere; Reflux;

Reference： [1]Sang, Ji-Wei; Du, Peiyu; Xia, Dingding; Zhang, Yu; Wang, Jinxin; Zhang, Wei-Dong [Chemistry - A European Journal, 2023]

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Environmental hazards
Code	Phrase
H400	Very toxic to aquatic life
H401	Toxic to aquatic life
H402	Harmful to aquatic life
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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. 169590-41-4 ]

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[ 169590-41-4 ] Synthesis Path-Upstream 1~7

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