[ CAS No. 25932-11-0 ] {[proInfo.proName]}

Name: 25932-11-0|Sodium benzenesulfinate dihydrate|98%
Brand: Ambeed
SKU: A846536
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Quality Control of [ 25932-11-0 ]

COA NMR CNMR HPLC LC-MS

Related Doc. of [ 25932-11-0 ]

SDS Specification

Alternatived Products of [ 25932-11-0 ]

Product Details of [ 25932-11-0 ]

CAS No. :	25932-11-0	MDL No. :	MFCD00149638
Formula :	C₆H₉NaO₄S	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	MYXJYAIKMQJHIB-UHFFFAOYSA-M
M.W :	200.19	Pubchem ID :	23681562
Synonyms :

Calculated chemistry of [ 25932-11-0 ]

Physicochemical Properties

Num. heavy atoms :	12
Num. arom. heavy atoms :	6
Fraction Csp3 :	0.0
Num. rotatable bonds :	1
Num. H-bond acceptors :	4.0
Num. H-bond donors :	2.0
Molar Refractivity :	39.86
TPSA :	77.8 Å²

Pharmacokinetics

GI absorption :	High
BBB permeant :	No
P-gp substrate :	Yes
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-7.75 cm/s

Lipophilicity

Log Po/w (iLOGP) :	-10.18
Log Po/w (XLOGP3) :	-0.32
Log Po/w (WLOGP) :	1.66
Log Po/w (MLOGP) :	-0.48
Log Po/w (SILICOS-IT) :	0.16
Consensus Log Po/w :	-1.83

Druglikeness

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

Water Solubility

Log S (ESOL) :	-1.18
Solubility :	13.1 mg/ml ; 0.0655 mol/l
Class :	Very soluble
Log S (Ali) :	-0.85
Solubility :	28.1 mg/ml ; 0.14 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	-1.81
Solubility :	3.07 mg/ml ; 0.0153 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	2.63

Safety of [ 25932-11-0 ]

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 [ 25932-11-0 ]

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

Downstream synthetic route of [ 25932-11-0 ]

[ 25932-11-0 ] Synthesis Path-Downstream 1~58

1
[ 93548-36-8 ]
[ 27748-51-2 ]
[ 25932-11-0 ]
[ 97663-40-6 ]
[ 97663-36-0 ]

Reference： [1]Chemistry Letters,1985,p. 229 - 232

2
[ 93548-36-8 ]
[ 31001-80-6 ]
[ 25932-11-0 ]
[ 97663-40-6 ]
[ 97663-36-0 ]

Reference： [1]Chemistry Letters,1985,p. 229 - 232

3
[ 93548-36-8 ]
[ 25932-11-0 ]
[ 97663-36-0 ]

Reference： [1]Chemistry Letters,1985,p. 229 - 232

4
[ 68216-53-5 ]
[ 25932-11-0 ]
[ 97663-37-1 ]
[ 97663-38-2 ]

Reference： [1]Chemistry Letters,1985,p. 229 - 232

5
[ 115-95-7 ]
[ 25932-11-0 ]
[ 91940-11-3 ]
[ 60622-52-8 ]

Reference： [1]Tetrahedron Letters,1985,vol. 26,p. 851 - 854

6
[ 115-95-7 ]
[ 25932-11-0 ]
[ 60622-52-8 ]

Reference： [1]Tetrahedron Letters,1985,vol. 26,p. 851 - 854

7
[ 20536-36-1 ]
[ 25932-11-0 ]
[ 56881-52-8 ]

Reference： [1]Tetrahedron Letters,1982,vol. 23,p. 2205 - 2208

8
[ 25932-11-0 ]
[ 5389-87-7 ]
[ 56691-80-6 ]

Reference： [1]Tetrahedron Letters,1982,vol. 23,p. 2205 - 2208

9
[ 2562-42-7 ]
[ 25932-11-0 ]
[ 96921-45-8 ]
[ 96921-48-1 ]

Reference： [1]Tetrahedron Letters,1985,vol. 26,p. 851 - 854

10
[ 27748-51-2 ]
[ 25932-11-0 ]
[ 97663-40-6 ]

Reference： [1]Chemistry Letters,1985,p. 229 - 232

11
[ 5330-61-0 ]
[ 25932-11-0 ]
[ 49639-03-4 ]
[ 96921-49-2 ]

Reference： [1]Tetrahedron Letters,1985,vol. 26,p. 851 - 854

12
[ 2562-37-0 ]
[ 25932-11-0 ]
[ 87413-32-9 ]

Reference： [1]Chemistry Letters,1985,p. 229 - 232

13
[ 68837-74-1 ]
[ 25932-11-0 ]
[ 82234-80-8 ]

Reference： [1]Chemistry Letters,1985,p. 229 - 232

14
[ 52315-51-2 ]
[ 25932-11-0 ]
[ 96921-46-9 ]

Reference： [1]Tetrahedron Letters,1985,vol. 26,p. 851 - 854

15
[ 104489-07-8 ]
[ 25932-11-0 ]
[ 96921-47-0 ]

Reference： [1]Tetrahedron Letters,1985,vol. 26,p. 851 - 854

16
[ 151072-38-7 ]
[ 25932-11-0 ]
[ 82895-42-9 ]

Reference： [1]Tetrahedron Letters,1982,vol. 23,p. 2205 - 2208

17
[ 81769-16-6 ]
[ 25932-11-0 ]
[ 121986-34-3 ]
[ 96921-53-8 ]

Reference： [1]Tetrahedron Letters,1985,vol. 26,p. 851 - 854

18
[ 81769-16-6 ]
[ 25932-11-0 ]
[ 96921-53-8 ]

Reference： [1]Tetrahedron Letters,1985,vol. 26,p. 851 - 854

19
[ 81769-17-7 ]
[ 25932-11-0 ]
[ 105417-24-1 ]
[ 96921-50-5 ]

Reference： [1]Tetrahedron Letters,1985,vol. 26,p. 851 - 854

20
[ 81769-17-7 ]
[ 25932-11-0 ]
[ 96921-50-5 ]

Reference： [1]Tetrahedron Letters,1985,vol. 26,p. 851 - 854

21
[ 87027-39-2 ]
[ 25932-11-0 ]
[ 86838-78-0 ]

Reference： [1]Tetrahedron Letters,1983,vol. 24,p. 2291 - 2294
[2]Tetrahedron Letters,1983,vol. 24,p. 2287 - 2290

22
[ 25932-11-0 ]
[ 93548-37-9 ]
[ 97663-37-1 ]
[ 97663-38-2 ]

Reference： [1]Chemistry Letters,1985,p. 229 - 232

23
[ 25932-11-0 ]
[ 121190-60-1 ]
[ 97663-39-3 ]
[ 82234-82-0 ]

Reference： [1]Chemistry Letters,1985,p. 229 - 232

24
[ 25932-11-0 ]
2-methyl-3-nitro-2-propene 70percent, 2-methyl-3-nitro-1-propene 30percent [ No CAS ]
[ 49639-05-6 ]

Reference： [1]Chemistry Letters,1985,p. 229 - 232

25
3-(4'-(4-ethoxy-2,3-difluorophenyl)-bicyclohexyl-3'-ene-trans-4-yl)propionaldehyde [ No CAS ]
[ 1530-32-1 ]
[ 25932-11-0 ]
4-(4-ethoxy-2,3-difluorophenyl)-trans-4'-pent-3-enylbicyclohexyl-3-ene [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With hydrogenchloride; In tetrahydrofuran; water; toluene;	Example 4 Synthesis of 4-(4-ethoxy-2,3-difluorophenyl)-trans-4'-pent-3-enylbicyclohexyl-3-ene (No. 192) 8.28 g of well dried ethyltriphenylphosphonium bromide and 40 mL of THF were mixed under nitrogen atmosphere and cooled to -10 C. Thereafter, 2.50 g of potassium t-butoxide (t-BuOK) was added thereto by dividing into 3 portions at a temperature range of from -10 to -5 C. After stirring at -5 C. for 60 minutes, 7.00 g of the compound (9) dissolved in 20 mL of THF was added dropwise thereto at -5 C. After stirring at 0 C. for 30 minutes, the reaction mixture was added to and mixed with a mixture of 100 mL of water and 100 mL of toluene. Thereafter, the mixture was separated into an organic layer and an aqueous layer by standing still so as to attain extraction to the organic layer. The resulting organic layer was fractionated and washed with water, followed by drying over anhydrous magnesium sulfate. A residue obtained by concentrating the resulting solution under reduced pressure was purified by silica gel column chromatography using a mixed solvent of heptane and toluene (heptane/toluene=4/1 by volume) as eluent, and the elude was concentrated under reduced pressure to obtain 7.77 g of a white solid. 31 mL of Solmix A-11 was added to 7.77 g of the white solid, to which, under stirring, 12.0 g of <strong>[25932-11-0]sodium benzenesulfinate dihydrate</strong> was added, and subsequently 31 mL of 6N hydrochloric acid was added, followed by refluxing under heating for 5 hours. After cooling the reaction mixture to 30 C., 100 mL of water and 100 mL of toluene were added to and mixed with the resulting solution, which was then separated into an organic layer and an aqueous layer by standing still, so as to attain extraction to the organic layer. The resulting organic layer was fractionated and washed with water, a 0.5N sodium hydroxide aqueous solution, a saturated sodium bicarbonate aqueous solution and water, followed by drying over anhydrous magnesium sulfate. The resulting solution was concentrated under reduced pressure, and the resulting residue was purified by silica gel column chromatography using a mixed solvent of heptane and toluene (heptane/toluene=3/1 by volume) as eluent, followed by concentrating the elude under reduced pressure. The resulting residue was purified by recrystallization from a mixed solvent of heptane and Solmix A-11 (heptane/Solmix A-11=3/1 by volume) to obtain 1.50 g of 4-(4-ethoxy-2,3-difluorophenyl)-trans-4'-pent-3-enylbicyclohexyl-3-ene (No. 192).

Reference： [1]Patent: US2008/63814,2008,A1

26
[ 352010-50-5 ]
[ 25932-11-0 ]
[ 352281-97-1 ]

Yield	Reaction Conditions	Operation in experiment
	In dimethoxyethane, tetrabutylammonium bromide;	Synthesis Example 5 Process (b): To a suspension of N-chloromethyl-3,4-dichloro-5-isothiazolecarboxamide (1.00 g) and <strong>[25932-11-0]sodium benzenesulfinate dihydrate</strong> (0.90 g) in dimethoxyethane, tetrabutylammonium bromide (0.05 g) was added, and the mixture was refluxed for 6 hours by heating. The reaction mixture was poured into water and the deposited crystals were filtered off to obtain N-phenylsulfonylmethyl-3,4-dichloro-5-isothiazolecarboxamide (1.00 g). mp 175-176 C.

Reference： [1]Patent: US2003/176477,2003,A1

27
[ 16526-19-5 ]
[ 25932-11-0 ]
[ 41856-34-2 ]

Yield	Reaction Conditions	Operation in experiment
58% (E/Z=99/1)	In water; acetonitrile;	Example 12 To a solution of 200 mg (1 mmol) of <strong>[25932-11-0]sodium benzenesulfinate dihydrate</strong> dissolved in 2 ml of water was dropwise added a solution of 261 mg (purity 87.3%, 1 mmol) of 1,4-dibromo-2-methyl-2-butene in 2 ml of acetonitrile. The resulting mixture was stirred at room temperature for 10 hours, followed by addition of water and then extraction with ethyl acetate. A separated organic layer was washed with saturated brine. After being dried over anhydrous sodium sulfate, the organic layer was filtered and the filtrate was evaporated to give 1 -(phenylsulfonyl)-3-methyl-4-bromo-2-butene. Analysis of the obtained crude product was purified by silica gel column chromatography to give 1-(phenylsulfonyl)-3-methyl-4-bromo-2-butene in a yield of 58% (E/Z=99/1).

Reference： [1]Patent: US2002/107422,2002,A1

28
1N-hydrogen chloride [ No CAS ]
[ 144526-60-3 ]
[ 25932-11-0 ]
[ 144526-59-0 ]

Yield	Reaction Conditions	Operation in experiment
443 mg (87%)	In methanol; dichloromethane;	Example 6 This example describes the preparation of p-methoxybenzyl 2-(3-amino-4-benzenesulfonylthio-2-azetidinon-1-yl)-3-chloromethyl-3-butenoate (2b) (the compound of formula (2) where R1 =p-methoxybenzyl and Ar=phenyl). First, 500 mg of compound (1a) (R1 --phenyl, R2 =hydrogen, R3 =p-methoxybenzyl) was dissolved in a mixture of 1.5 ml of methylene chloride and 4 ml of methanol. While the solution was chilled, 6 ml of 1N-hydrogen chloride/methanol and 213 mg of <strong>[25932-11-0]sodium benzenesulfinate dihydrate</strong> were added and a reaction was allowed to take place at ambient for 3 hours. Procedures similar to those of Example 1 were conducted to obtain 443 mg (87%) of compound (2b) in the form of a light yellow syrup. 1 H - NMR (CDCl3) delta 1.80 (bs, 2H, NH2), 3.80 (s, 3H, CH2 C6 H4 OCH3), 4.05 (s, 2H, CH2 C6 H4 OCH3), 4.63 (d, 1H, J=4.5 Hz, beta-lactam), 4.92, 5.01, 5.33 (each s, each 1H, CH (COOCH2 C6 H4 OCH3) C (CH2 Cl) =CH2), 5.09 (d, 1H, J=10.8 Hz, CH2 Cl), 5.16 (d, 1H, J=10.8 Hz, CH2 Cl), 5.55 (d, 1H, J=4.5 Hz, beta-lactam), 6.89 (d, 2H, J=9.0 Hz, CH2 C6 H4 OCH3), 7.28 (d, 2H, J=9.0 Hz, CH2 C6 H4 OCH3), 7.51-7.89 (5h, m, SO2 C6 H5) IR 3400, 3340, 1775, 1740, 1335, 1145 cm-1

Reference： [1]Patent: US5405955,1995,A

29
trans-4-(trans-4-(trans-4-propylcyclohexyl)cyclohexyl)cyclohexyl carbaldehyde [ No CAS ]
[ 1530-32-1 ]
[ 25932-11-0 ]
1-((E)-1-propenyl)-trans-4-(trans-4-(trans4-propylcyclohexyl)cyclohexyl)cyclohexane [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
41.6%	With hydrogenchloride; potassium tert-butylate; sodium carbonate; In tetrahydrofuran; water;	EXAMPLE 2 Preparation of 1-((E)-1-propenyl)-trans-4-(trans-4-(trans4-propylcyclohexyl)cyclohexyl)cyclohexane (Compound No. 65 of formula (I) wherein R1 is C3 H7, the rings A1, A2 and A3 are trans-1,4-cyclohexylene groups, m is 0 and R2 is --CH3) A mixture of 7.28 g (19.6 mmol) of ethyltriphenylphosphonium bromide and 70 ml of THF was cooled to -50 C. To this mixture was added 2.42 g (21.6 mmol) of t-BuOK and the resulting mixture was stirred for one hour. To this mixture was added dropwise, while maintaining a temperature at below -50 C., a solution of 5.00 g (15.7 mmol) of trans-4-(trans-4-(trans-4-propylcyclohexyl)cyclohexyl)cyclohexyl carbaldehyde. After completion of the dropwise addition, the reaction temperature was gradually allowed to rise up to room temperature and the mixture was stirred for further 5 hours. After the reaction was completed by adding 50 ml of water, the reaction mixture was extracted with 300 ml of toluene. The organic layer was washed three times with 100 ml of water and dried over anhydrous magnesium sulfate. The solvent was distilled off under reduced pressure. A silica gel column chromatography (a developing solvent: heptane) of the residue gave 2.70 g of crude 1-((E)-1-propenyl)-trans-4-(trans-4-(trans-4-propylcyclohexyl)cyclohexyl)cyclo-hexane. 2.70 g (8.17 mmol) of the crude product was mixed with 2.45 g (12.3 mmol) of <strong>[25932-11-0]sodium benzenesulfinate dihydrate</strong>, 2.0 ml (12.3 mmol) of 6N hydrochloric acid and 20 ml of a mixed solvent of toluene/ethanol (1/1) and the resulting mixture was heated under reflux for 16 hours. After cooling to room temperature, 50 ml of water was added to the reaction mixture which was then extracted with 150 ml of toluene. The organic layer was washed three times with a saturated aqueous solution of sodium carbonate and three times with water and dried over anhydrous magnesium sulfate. The solvent was distilled off under reduced pressure and the residue was subjected to a silica gel column chromatography (developing solvent=toluene) to give 2.32 g of crude 1-((E)-1-propenyl)-trans-4-(trans-4-(trans-4-propylcyclohexyl)cyclohexyl)cyclohexane. Recrystallization of the crude compound from a mixed solvent of ethyl acetate/heptane (13/7) gave 2.16 g (Yield, 41.6%) of the title compound.

Reference： [1]Patent: US5709820,1998,A

30
methyl silicone [ No CAS ]
[ 507-63-1 ]
[ 21810-44-6 ]
[ 25932-11-0 ]
2-iodo-3-perfluorooctylnorbornane [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	In N-methyl-acetamide; water;	EXAMPLE 1 A mixture of 6.0 g (0.03 mole) of <strong>[25932-11-0]sodium benzenesulfinate dihydrate</strong>, 100 mL of dimethylformamide (DMF) which had been bubbled with argon to remove oxygen, 9.4 g (0.1 mole) of norbornene and 10.9 g (0.02 mole) of perfluorooctyl iodide was stirred overnight. The mixture was poured into 300 mL of ether and 300 mL of water. The ether solution was washed with 3*100 mL of water and dried over anhydrous magnesium sulfate. Glpc (gas-liquid partition chromatography) analysis using a 1.83 m by 0.32 cm 10% methyl silicone fluid (SP-2100; Supelco) column with helium carrier gas flow rate of 40 mL/min and an oven temperature of 70 for 2 min (then heated from 70 to 230 at 16/min) revealed the absence of a peak due to unreacted perfluorooctyl iodide and the presence of a new peak with the retention time of 9.5 minutes. The ether solution was concentrated on a rotary evaporator giving 11.9 g (93%) of 2-iodo-3-perfluorooctylnorbornane, proton NMR (delta CDC13/TMS) 1.1-2.8 (9H,m); 4.32 (1H,m), fluorine NMR (delta CDC13/CFC13) --81.55 (3F); -126.74 (2F); -123.21 (2F); -122.30 (6F); -121.25 (2F); -117.69 (2F, AB quartet, Jab=280 Hz).

Reference： [1]Patent: US4650913,1987,A

31
[ 123-91-1 ]
[ 141-30-0 ]
[ 56-93-9 ]
[ 25932-11-0 ]
[ 141060-78-8 ]

Yield	Reaction Conditions	Operation in experiment
	With sodium hydroxide;	Preparation 1 A mixture of 3,6-dichloropyridazine (50 g), <strong>[25932-11-0]sodium benzenesulfinate dihydrate</strong> (100 g), benzyltrimethylammonium chloride (62.3 g), and 1,4-dioxane (335 ml) was stirred for 3 hours at 100 C. After being cooled to room temperature, aqueous solution of sodium hydroxide (510 ml) was added to the mixture, and the mixture was stirred for 0.5 hour at 100 C. The reaction mixture was cooled in a water bath and acidified with 36% hydrochloric acid (35 ml). The precipitate formed was collected, washed well with water, and dried to give 6-phenylsulfonyl-3-oxo-2,3-dihydropyridazine (54.7 g). mp: 189-191 C. IR (Nujol): 1680, 1650, 1370, 1160 cm-1 NMR (DMSO-d6, delta): 7.12 (1H, d, J=10Hz), 7.6-7.9 (3H, m), 7.9-8.1 (3H, m) 13.85 (1H, broad s) MASS m/z: 236 Anal. Calcd. for C10 H8 N2 O3 S: C 50.84, H 3.41, N 11.86, S 13.57 (%) Found: C 51.10, H 3.33, N 11.70, S 13.23 (%)

Reference： [1]Patent: US5338743,1994,A

32
[ 25932-11-0 ]
[ 506-77-4 ]
[ 24224-99-5 ]

Yield	Reaction Conditions	Operation in experiment
93.8%	In dichloromethane; water;	Reference Example 1 <Synthesis of benzenesulfonyl cyanide> In a 200 ml four-necked flask, 70 g of water, 2 g of methylene chloride and 32.0 g (0.16 mol.) of <strong>[25932-11-0]sodium benzenesulfinate dihydrate</strong> were charged, and then cooled to 3 C. Then, 10.7 g (0.17 mol.) of gaseous cyanogen chloride was introduced into the flask for about 15 minutes while keeping the internal temperature at 3 to 6 C. After introducing cyanogen chloride, the reaction mixture was stirred at 5 C. for 30 minutes and then the mixture was transferred into a separation funnel. The organic layer was separated, and 5 g of methylene chloride was added to the aqueous layer to extract benezenesulfonyl cyanide, and then the extract and the organic layer were combined, dried over magnesium sulfate, and then methylene chloride was removed by distillation under reduced pressure to obtain 24.8 g (0.15 mol.) of benezenesulfonyl cyanide (yield: 93.8%).

Reference： [1]Patent: US6232473,2001,B1

33
[ 25932-11-0 ]
silver nitrate [ No CAS ]
[ 7449-23-2 ]

Reference： [1]Journal of the Chemical Society, Dalton Transactions,
Journal of the Chemical Society, Dalton Transactions: Inorganic Chemistry (1972-1999),1977,p. 578 - 581

34
rhodium(II) acetate dimer [ No CAS ]
[ 25932-11-0 ]
2Na⁽¹⁺⁾*{Rh₂(O₂CCH₃)4(O₂SC₆H₅)2}^(2-)=Na₂{Rh₂(O₂CCH₃)4(O₂SC₆H₅)2} [ No CAS ]

Reference： [1]Journal of the Chemical Society, Dalton Transactions,
Journal of the Chemical Society, Dalton Transactions: Inorganic Chemistry (1972-1999),1976,p. 765 - 767
[2]Gmelin Handbuch der Anorganischen Chemie,Gmelin Handbook: Rh: SVol.B2, 1.1.2.2.5, page 29 - 32

35
[ 278172-59-1 ]
[ 25932-11-0 ]
[ 3112-85-4 ]
[ 603-33-8 ]

Reference： [1]Organometallics,2000,vol. 19,p. 2258 - 2263

36
dirhodium tetraacetate [ No CAS ]
[ 25932-11-0 ]
disodium tetra-acetatodi(phenylsulphinato)dirhodate(II)-water (1/2) [ No CAS ]

Reference： [1]Journal of the Chemical Society, Dalton Transactions,
Journal of the Chemical Society, Dalton Transactions: Inorganic Chemistry (1972-1999),1976,p. 765 - 767

37
[ 25932-11-0 ]
[ 52495-07-5 ]

Reference： [1]Journal of the Chemical Society, Dalton Transactions,
Journal of the Chemical Society, Dalton Transactions: Inorganic Chemistry (1972-1999),1977,p. 578 - 581

38
[ 25932-11-0 ]
[ 63632-54-2 ]

Reference： [1]Journal of the Chemical Society, Dalton Transactions,
Journal of the Chemical Society, Dalton Transactions: Inorganic Chemistry (1972-1999),1977,p. 578 - 581

39
[ 25932-11-0 ]
[ 63632-55-3 ]

Reference： [1]Journal of the Chemical Society, Dalton Transactions,
Journal of the Chemical Society, Dalton Transactions: Inorganic Chemistry (1972-1999),1977,p. 578 - 581

40
[ 25932-11-0 ]
[ 63632-53-1 ]

Reference： [1]Journal of the Chemical Society, Dalton Transactions,
Journal of the Chemical Society, Dalton Transactions: Inorganic Chemistry (1972-1999),1977,p. 578 - 581

41
[ 25932-11-0 ]
(benzenesulphinato)bis(triphenylphosphine)silver(I) [ No CAS ]

Reference： [1]Journal of the Chemical Society, Dalton Transactions,
Journal of the Chemical Society, Dalton Transactions: Inorganic Chemistry (1972-1999),1977,p. 578 - 581
[2]Journal of the Chemical Society, Dalton Transactions,
Journal of the Chemical Society, Dalton Transactions: Inorganic Chemistry (1972-1999),1977,p. 578 - 581

42
[ 25932-11-0 ]
(benzenesulphinato)bis(triphenylphosphine)copper(I) [ No CAS ]

Reference： [1]Journal of the Chemical Society, Dalton Transactions,
Journal of the Chemical Society, Dalton Transactions: Inorganic Chemistry (1972-1999),1977,p. 578 - 581

43
[ 25932-11-0 ]
[ 97483-77-7 ]
[ 1424246-19-4 ]

Yield	Reaction Conditions	Operation in experiment
91%	In dimethyl sulfoxide; at 120.0℃; for 4.0h;	A solution of 5- bromopyridine-2-carbonitrile (5 g, 27.32 mmol, 1 .00 equiv) and sodium benzenesulfinate dehydrate (8.2 g, 41 .00 mmol, 1.50 equiv) in DMSO (50 mL) was stirred for 4 h at 1 20"C. The reaction mixture was cooled to rt and the product was precipitated by the addition of an ice/water ( 1000mL) mixture. The precipitate was collected by filtration and air-dried to give 6. 1 g (91 %) of 5- (benzenesulfonyl )pyridine-2-carbonitrile as a white solid LC/MS (Method O, ESI): RT = 1 .42 min, - 286.0 [M +CH-,CN+ H]

Reference： [1]Patent: WO2013/127267,2013,A1 .Location in patent: Page/Page column 117

44
[ 1529774-45-5 ]
[ 25932-11-0 ]
4-(2-(2-(2-chlorobenzoylhydrazono)-1-(phenylsulfonyl)propylidene)hydrazinyl)benzenesulfonamide [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
62%	In ethanol; for 18.0h;Reflux;	General procedure: To a solution of compounds 3a-d (1 mmol) in absolute ethanol (50 mL), <strong>[25932-11-0]sodium benzenesulphinate dihydrate</strong> (0.4 g, 2 mmol) was added. The mixture was refluxed for 18 h, then left to cool. The reaction mixture was poured into cold water and the solid product was filtered off, washed with water, dried and crystallized from EtOH/ DMF to give the sulfones 5a-d.

Reference： [1]Bioorganic and Medicinal Chemistry,2014,vol. 22,p. 141 - 147

45
[ 1529774-46-6 ]
[ 25932-11-0 ]
4-(2-(2-(2-methoxybenzoylhydrazono)-1-(phenylsulfonyl)propylidene)hydrazinyl)benzenesulfonamide [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
57%	In ethanol; for 18.0h;Reflux;	General procedure: To a solution of compounds 3a-d (1 mmol) in absolute ethanol (50 mL), <strong>[25932-11-0]sodium benzenesulphinate dihydrate</strong> (0.4 g, 2 mmol) was added. The mixture was refluxed for 18 h, then left to cool. The reaction mixture was poured into cold water and the solid product was filtered off, washed with water, dried and crystallized from EtOH/ DMF to give the sulfones 5a-d.

Reference： [1]Bioorganic and Medicinal Chemistry,2014,vol. 22,p. 141 - 147

46
[ 1529774-47-7 ]
[ 25932-11-0 ]
4-(2-(2-(2-chlorobenzoylhydrazono)-1-(phenylsulfonyl)propylidene)hydrazinyl)benzenesulfonamide [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
62%	In ethanol; for 18.0h;Reflux;	General procedure: To a solution of compounds 3a-d (1 mmol) in absolute ethanol (50 mL), <strong>[25932-11-0]sodium benzenesulphinate dihydrate</strong> (0.4 g, 2 mmol) was added. The mixture was refluxed for 18 h, then left to cool. The reaction mixture was poured into cold water and the solid product was filtered off, washed with water, dried and crystallized from EtOH/ DMF to give the sulfones 5a-d.

Reference： [1]Bioorganic and Medicinal Chemistry,2014,vol. 22,p. 141 - 147

47
[ 1529774-44-4 ]
[ 25932-11-0 ]
4-(2-(2-(2-benzoylhydrazono)-1-(phenylsulfonyl)propylidene)hydrazinyl)benzenesulfonamide [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
59%	In ethanol; for 18.0h;Reflux;	General procedure: To a solution of compounds 3a-d (1 mmol) in absolute ethanol (50 mL), <strong>[25932-11-0]sodium benzenesulphinate dihydrate</strong> (0.4 g, 2 mmol) was added. The mixture was refluxed for 18 h, then left to cool. The reaction mixture was poured into cold water and the solid product was filtered off, washed with water, dried and crystallized from EtOH/ DMF to give the sulfones 5a-d.

Reference： [1]Bioorganic and Medicinal Chemistry,2014,vol. 22,p. 141 - 147

48
[ 21852-37-9 ]
[ 25932-11-0 ]
1,2-Dimethoxy-4-methyl-5-((phenylsulfonyl)methyl)benzene [ No CAS ]

Reference： [1]Journal of Organic Chemistry,2014,vol. 79,p. 11592 - 11608

49
C₂₀H₃₃BrO₂ [ No CAS ]
[ 25932-11-0 ]
1,2-bis(hexyloxy)-4-methyl-5-(phenylsulfonylmethyl)benzene [ No CAS ]

Reference： [1]Journal of Organic Chemistry,2014,vol. 79,p. 11592 - 11608

50
C₂₀H₂₇BrO₂ [ No CAS ]
[ 25932-11-0 ]
1,4-dibutoxy-2-methyl-3-(phenylsulfonylmethyl)naphthalene [ No CAS ]

Reference： [1]Journal of Organic Chemistry,2014,vol. 79,p. 11592 - 11608

51
[ 25932-11-0 ]
[ 217661-27-3 ]
2-cyano-4-fluoro-1-(phenylsulfonylmethyl)benzene [ No CAS ]

Reference： [1]Journal of Organic Chemistry,2014,vol. 79,p. 11592 - 11608

52
[ 25932-11-0 ]
[ 78471-43-9 ]
methyl 4-bromo-2-(phenylsulfonylmethyl)benzoate [ No CAS ]

Reference： [1]Journal of Organic Chemistry,2014,vol. 79,p. 11592 - 11608

53
[ 6425-67-8 ]
[ 25932-11-0 ]
1,2-dibromo-4-bromomethyl-5-(phenylsulfonylmethyl)benzene [ No CAS ]

Reference： [1]Journal of Organic Chemistry,2014,vol. 79,p. 11592 - 11608

54
[ 25932-11-0 ]
[ 22115-41-9 ]
[ 82651-72-7 ]

Reference： [1]Journal of Organic Chemistry,2014,vol. 79,p. 11592 - 11608

55
[ 25932-11-0 ]
[ 21903-56-0 ]
4-bromomethyl-1,2-dichloro-5-(phenylsulfonylmethyl)benzene [ No CAS ]

Reference： [1]Journal of Organic Chemistry,2014,vol. 79,p. 11592 - 11608

56
[ 38998-33-3 ]
[ 25932-11-0 ]
2-bromomethyl-3-(phenylsulfonylmethyl)naphthalene [ No CAS ]

Reference： [1]Journal of Organic Chemistry,2014,vol. 79,p. 11592 - 11608

57
[ 100-39-0 ]
[ 25932-11-0 ]
[ 3112-88-7 ]

Yield	Reaction Conditions	Operation in experiment
82%	In N,N-dimethyl-formamide; at 80.0℃; for 24.0h;Inert atmosphere;	To a 100 mL of round-bottomed flask charged with a magnetic stirrer bar was added benzylbromide (1.71 g, 10 mmol) in DMF (30 mL). Sodium benzenesulfinate dihydrate (2.40 g, 12 mmol)was added to the solution, and the mixture was stirred at 80 C for 24 h. Saturated 10 mL of NH4Claq. was added to the reaction mixture, and organic and aqueous layers were separated. After theaqueous layer was extracted with EtOAc, combined organic layer was washed with water and brineand dried over MgSO4. The solvents were removed under reduced pressure, and the crude productwas subjected to a flash chromatography (EtOAc/CH2Cl2/hexane, 1:2:7) to afford the desired benzylsulfone in 82% yield (1.90 g).

Reference： [1]Chemistry Letters,2020,vol. 49,p. 409 - 412

58
[ 823-78-9 ]
[ 25932-11-0 ]
[ 130891-01-9 ]

Yield	Reaction Conditions	Operation in experiment
70%	In N,N-dimethyl-formamide; at 80.0℃; for 24.0h;Inert atmosphere;	General procedure: To a 100 mL of round-bottomed flask charged with a magnetic stirrer bar was added benzylbromide (1.71 g, 10 mmol) in DMF (30 mL). Sodium benzenesulfinate dihydrate (2.40 g, 12 mmol)was added to the solution, and the mixture was stirred at 80 C for 24 h. Saturated 10 mL of NH4Claq. was added to the reaction mixture, and organic and aqueous layers were separated. After theaqueous layer was extracted with EtOAc, combined organic layer was washed with water and brineand dried over MgSO4. The solvents were removed under reduced pressure, and the crude productwas subjected to a flash chromatography (EtOAc/CH2Cl2/hexane, 1:2:7) to afford the desired benzylsulfone in 82% yield (1.90 g).

Reference： [1]Chemistry Letters,2020,vol. 49,p. 409 - 412

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Ghs Precautionary Statements

Precautionary Statements-General
Code	Phrase
P101	If medical advice is needed,have product container or label at hand.
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Prevention
Code	Phrase
P201	Obtain special instructions before use.
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P210	Keep away from heat/sparks/open flames/hot surfaces. - No smoking.
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P230	Keep wetted
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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.
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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
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P501	Dispose of contents/container to ...
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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. 25932-11-0 ] {[proInfo.proName]}

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[ 25932-11-0 ] Synthesis Path-Downstream 1~58

Related Functional Groups of [ 25932-11-0 ]

Aryls

Sulfonic Acids

Precautionary Statements-General

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Response

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[ 25932-11-0 ]