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2-Benzhydrylsulphinylacetic acid

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Products Intro: Product Name:2-(benzhydryl sulfinyl ) acetic acid
CAS:63547-24-0
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Products Intro: Product Name:2-Benzhydrylsulphinylacetic acid
CAS:63547-24-0
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Products Intro: Product Name: 2-Benzhydrylsulphinylacetic acid
CAS:63547-24-0
Purity:97%-99% Package:1KG;6.6USD
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Products Intro: Product Name:2-Benzhydrylsulphinylacetic acid
CAS:63547-24-0
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Products Intro: Product Name:2-(Diphenylmethylsulfinyl)acetic acid
CAS:63547-24-0
Purity:98% Package:25KG Remarks:1022

2-Benzhydrylsulphinylacetic acid manufacturers

2-Benzhydrylsulphinylacetic acid Basic information
Product Name:2-Benzhydrylsulphinylacetic acid
Synonyms:Benzyhydrylsulfinylacetic acid;2-[(Diphenyl-methyl)sulfinyl]acetic Acid;Modafinic Acid;Modafinil Acid;Acetic acid, [(diphenylmethyl)sulfinyl]-;2-Benzhydrylsulphinylacetic acid;(Diphenylmethylsulfinyl)acetic acid;(Benzhydrylsulfinyl)acetic acid
CAS:63547-24-0
MF:C15H14O3S
MW:274.33
EINECS:691-787-5
Product Categories:Intermediates & Fine Chemicals;Metabolites & Impurities;Neurochemicals;Pharmaceuticals;Metabolite Reference Standard
Mol File:63547-24-0.mol
2-Benzhydrylsulphinylacetic acid Structure
2-Benzhydrylsulphinylacetic acid Chemical Properties
Melting point 118-120℃
Boiling point 539.2±50.0 °C(Predicted)
density 1.327
Fp 2℃
storage temp. Sealed in dry,Room Temperature
solubility DMSO (Slightly), Methanol (Slightly)
form Solid
pka2.83±0.10(Predicted)
color White to off-white
BRN 665098
Major Applicationforensics and toxicology
InChI1S/C15H14O3S/c16-14(17)11-19(18)15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,15H,11H2,(H,16,17)
InChIKeyQARQPIWTMBRJFX-UHFFFAOYSA-N
SMILESOC(=O)CS(=O)C(c1ccccc1)c2ccccc2
Safety Information
Hazard Codes Xi,Xn,F
Risk Statements 41-36-20/21/22-11
Safety Statements 26-39-36/37-16
RIDADR UN 1648 3 / PGII
WGK Germany 2
HS Code 2930902000
Storage Class3 - Flammable liquids
Hazard ClassificationsAcute Tox. 4 Dermal
Acute Tox. 4 Inhalation
Acute Tox. 4 Oral
Eye Irrit. 2
Flam. Liq. 2
MSDS Information
2-Benzhydrylsulphinylacetic acid Usage And Synthesis
Chemical PropertiesOff-White to Pale Pink Solid
UsesA metabolite of Modafinil, a central nervous system vigilance promoting agent, which possesses neuroprotective properties
DefinitionChEBI: Modafinil acid is a diarylmethane.
General DescriptionModafinil acid is the major metabolite of modafinil, an analeptic drug sold under the brand names Provigil or Modavigil and approved by the US FDA for the treatment of narcolepsy, shift work sleep disorder, and excessive daytime sleepiness. Modafinil, a well known nootropic drug, is often used as a performance-enhancing drug in academics and sports.
Synthesis
2-[(Diphenylmethyl)thio]acetic acid

63547-22-8

2-Benzhydrylsulphinylacetic acid

63547-24-0

General procedure for the synthesis of 2-diphenylmethylsulfinylacetic acid from 2-[(diphenylmethyl)thio]acetic acid: 1. 2-[(Diphenylmethyl)thio]acetic acid (416 g, 1.61 mol) was suspended in purified water (4160 mL) at 25 to 30°C. 2. a 30% sodium hydroxide solution was prepared by dissolving 70.90 g (1.77 mol) of sodium hydroxide flakes/granules in 235 mL of purified water at 25 to 30 °C and added to the above suspension over 15 min. 3. 50% hydrogen peroxide (142.5 g, 2.095 mol) was slowly added over a period of 5 to 6 hours under stirring, maintaining the reaction temperature between 25 and 35 °C. 4. continue stirring the reaction mixture at 25 to 35 °C for 15 to 20 hours until the reaction is complete (the residual amount of feedstock should be less than 0.5% area). 5. Upon completion of the reaction, toluene (1664 mL) is added and the mixture is stirred for 10 minutes. 6. With stirring, the reaction mixture is acidified with concentrated hydrochloric acid (250 mL) while maintaining the temperature between 25 and 30°C. The reaction mixture is then purified by adding toluene (1664 mL). 7. the resulting substance was continued to be stirred at 25 to 30 °C for 1 hour. 8. The precipitated product was collected by filtration, washed sequentially with water (3 x 832 mL) and toluene (416 mL), and then dried to give 416 g of 2-[(diphenylmethyl)sulfinyl]acetic acid as a white crystalline powder (yield: 94.17%, HPLC purity: 99.3%).

References[1] Organic and Biomolecular Chemistry, 2017, vol. 15, # 12, p. 2647 - 2654
[2] Patent: WO2009/24863, 2009, A2. Location in patent: Page/Page column 14-15
[3] Patent: WO2009/24863, 2009, A2. Location in patent: Page/Page column 16-17
[4] Patent: WO2009/24863, 2009, A2. Location in patent: Page/Page column 16
[5] Patent: WO2009/24863, 2009, A2. Location in patent: Page/Page column 15-16
Tag:2-Benzhydrylsulphinylacetic acid(63547-24-0) Related Product Information
2-[(Diphenylmethyl)sulfonyl] Acetamide SULFOXIDE DIMETHYL SULFOXIDE-D6 Modafinil Carboxylate Methyl Ester Modafinil Carboxylate-d5 Modafinil ACETIC ACID, [(DIPHENYLMETHYL)SULFINYL]-, ETHYL ESTER 2-Benzhydrylsulphinylacetic acid Modafinil Carboxylate-d5 Methyl Ester AKOS BC-1795