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(S)-2-(Toluene-4-sulfonyloxy)-propionic acid, with the molecular formula C13H16O5S, is a chemical compound that serves as a versatile building block in the realms of organic synthesis and pharmaceutical research. Characterized by the presence of a tosylate group, a well-known leaving group in organic chemistry, and a carboxylic acid group that engages in a variety of chemical reactions, this compound finds its utility in the creation and development of pharmaceuticals, agrochemicals, and materials science.

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  • 70836-98-5 Structure
  • Basic information

    1. Product Name: (S)-2-(TOLUENE-4-SULFONYLOXY)-PROPIONIC ACID
    2. Synonyms: (S)-2-(TOLUENE-4-SULFONYLOXY)-PROPIONIC ACID;Methyl (S)-2-tosyloxy propionate
    3. CAS NO:70836-98-5
    4. Molecular Formula: C10H12O5S
    5. Molecular Weight: 244.26428
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 70836-98-5.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: N/A
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: N/A
    6. Refractive Index: N/A
    7. Storage Temp.: N/A
    8. Solubility: N/A
    9. CAS DataBase Reference: (S)-2-(TOLUENE-4-SULFONYLOXY)-PROPIONIC ACID(CAS DataBase Reference)
    10. NIST Chemistry Reference: (S)-2-(TOLUENE-4-SULFONYLOXY)-PROPIONIC ACID(70836-98-5)
    11. EPA Substance Registry System: (S)-2-(TOLUENE-4-SULFONYLOXY)-PROPIONIC ACID(70836-98-5)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 70836-98-5(Hazardous Substances Data)

70836-98-5 Usage

Uses

Used in Pharmaceutical Research:
(S)-2-(Toluene-4-sulfonyloxy)-propionic acid is used as a key intermediate for the synthesis of various pharmaceutical compounds. Its unique structural features, including the tosylate and carboxylic acid groups, facilitate the development of new drugs with potential therapeutic applications.
Used in Agrochemical Development:
In the agrochemical industry, (S)-2-(Toluene-4-sulfonyloxy)-propionic acid is utilized as a starting material for the creation of novel agrochemicals. Its chemical properties allow for the synthesis of compounds that can be employed in pest control, crop protection, and other agricultural applications.
Used in Materials Science:
(S)-2-(Toluene-4-sulfonyloxy)-propionic acid also finds application in the field of materials science. Its structural attributes enable the synthesis of new materials with specific properties, such as improved mechanical strength, thermal stability, or chemical resistance, which can be beneficial in various industrial applications.

Check Digit Verification of cas no

The CAS Registry Mumber 70836-98-5 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 7,0,8,3 and 6 respectively; the second part has 2 digits, 9 and 8 respectively.
Calculate Digit Verification of CAS Registry Number 70836-98:
(7*7)+(6*0)+(5*8)+(4*3)+(3*6)+(2*9)+(1*8)=145
145 % 10 = 5
So 70836-98-5 is a valid CAS Registry Number.

70836-98-5SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name (2S)-2-(4-methylphenyl)sulfonyloxypropanoic acid

1.2 Other means of identification

Product number -
Other names (S)-2-Tosyloxypropionyl chloride

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:70836-98-5 SDS

70836-98-5Relevant articles and documents

NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS

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Paragraph 0423, (2019/01/21)

The present invention discloses compounds according to Formula (I) Wherein R1, R2, L, A1, A2, A3, Cy and the subscript n are as defined herein. The present invention relates to antagonists compounds of sphingosine 1-phosphate (SIP) receptor, methods for their production, pharmaceutical compositions comprising the same, and methods of treatment using the same, for the prophylaxis and/or treatment of diseases involving fibrotic diseases, inflammatory diseases, respiratory diseases, autoimmune diseases, metabolic diseases, cardiovascular diseases, and/or proliferative diseases by administering the compound of the invention.

Enantioselective α-tosyloxylation of ketones catalyzed by spirobiindane scaffold-based chiral iodoarenes

Yu, Jun,Cui, Jian,Hou, Xue-Sen,Liu, Shan-Shan,Gao, Wen-Chao,Jiang, Shan,Tian, Jun,Zhang, Chi

, p. 2039 - 2055 (2012/03/11)

Enantiomerically pure iodoarene (S)-2 and its derivatives (S)-3 to (S)-18 with a spirobiindane scaffold have been synthesized. The evaluation of these new chiral iodoarenes as catalysts in the enantioselective α-tosyloxylation of ketones was performed using m-CPBA as a stoichiometric oxidant, and the synthetically useful α-tosyloxylated ketones were obtained in up to 58% enantiomeric excess (ee).

tert-butyl (2S)-(p-tolylsulfonyloxy)propionate - A suitable reagent for the direct alkylation of indole derivatives

Kurkin,Belov,Yurovskaya

experimental part, p. 1123 - 1128 (2009/05/26)

A new method is proposed for the synthesis of indole derivatives containing a chiral substituent at the nitrogen atom, which includes the direct alkylation of indole derivatives with tert-butyl (2S)-(p-tolylsulfonyloxy)propionate, obtained from commercial ethyl (S)-lactate with subsequent conversion to the corresponding p-toluenesulfonyloxy derivative by hydrolysis, and esterification.

Results of Process Research. I. Synthesis of O-propionyl>-acetone oxime

Imfeld, Marquard,Suchy, Milos,Vogt, Peter,Lukac, Teodor,Schlageter, Markus,Widmer, Erich

, p. 1233 - 1241 (2007/10/02)

Efficient and simple procedures for the preparation of O--propionyl>-oxime derivatives 7b-e have been developed.The alkylation of 4-phenol (11) with 7d, the final step of a technical synthesis of 1, has been studied in detail.

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