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2-[(4-methylphenyl)sulfonyl]aniline is a chemical compound with the molecular formula C13H13NO2S. It is an aniline derivative featuring a sulfonyl group attached to a methylphenyl ring. 2-[(4-methylphenyl)sulfonyl]aniline is recognized for its role as a nucleophilic group in organic reactions and as a precursor for synthesizing various biologically active molecules. Its unique structure and reactivity render it a valuable building block in the realms of organic synthesis and pharmaceutical research.

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  • 1213-33-8 Structure
  • Basic information

    1. Product Name: 2-[(4-methylphenyl)sulfonyl]aniline
    2. Synonyms:
    3. CAS NO:1213-33-8
    4. Molecular Formula: C13H13NO2S
    5. Molecular Weight: 247.3128
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 1213-33-8.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 445°C at 760 mmHg
    3. Flash Point: 222.9°C
    4. Appearance: N/A
    5. Density: 1.259g/cm3
    6. Vapor Pressure: 4.1E-08mmHg at 25°C
    7. Refractive Index: 1.614
    8. Storage Temp.: N/A
    9. Solubility: N/A
    10. CAS DataBase Reference: 2-[(4-methylphenyl)sulfonyl]aniline(CAS DataBase Reference)
    11. NIST Chemistry Reference: 2-[(4-methylphenyl)sulfonyl]aniline(1213-33-8)
    12. EPA Substance Registry System: 2-[(4-methylphenyl)sulfonyl]aniline(1213-33-8)
  • 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: 1213-33-8(Hazardous Substances Data)

1213-33-8 Usage

Uses

Used in Pharmaceutical Synthesis:
2-[(4-methylphenyl)sulfonyl]aniline is utilized as a key intermediate in the synthesis of pharmaceuticals for its ability to contribute to the formation of biologically active molecules. Its presence in the molecular structure can influence the pharmacological properties of the resulting compounds, making it an essential component in drug development.
Used in Organic Compounds Synthesis:
In the field of organic chemistry, 2-[(4-methylphenyl)sulfonyl]aniline serves as a versatile intermediate for the creation of a wide array of organic compounds. Its sulfonyl and aniline functionalities provide a foundation for various chemical reactions, facilitating the production of complex organic molecules.
Used in Dye and Pigment Production:
2-[(4-methylphenyl)sulfonyl]aniline is employed as an intermediate in the production of dyes and pigments due to its capacity to form colored compounds. Its chemical structure allows for the development of dyes with specific color characteristics, which are crucial in various industries such as textiles, printing, and painting.
Used in Organic Chemicals Production:
Beyond pharmaceuticals, dyes, and pigments, 2-[(4-methylphenyl)sulfonyl]aniline also finds application in the broader production of organic chemicals. Its role as a building block in organic synthesis extends to the creation of a diverse range of chemical products, highlighting its multifaceted utility in the chemical industry.

Check Digit Verification of cas no

The CAS Registry Mumber 1213-33-8 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 1,2,1 and 3 respectively; the second part has 2 digits, 3 and 3 respectively.
Calculate Digit Verification of CAS Registry Number 1213-33:
(6*1)+(5*2)+(4*1)+(3*3)+(2*3)+(1*3)=38
38 % 10 = 8
So 1213-33-8 is a valid CAS Registry Number.

1213-33-8SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 20, 2017

Revision Date: Aug 20, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-(4-methylphenyl)sulfonylaniline

1.2 Other means of identification

Product number -
Other names o-aminophenyl p-tolyl sulfone

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:1213-33-8 SDS

1213-33-8Relevant articles and documents

TosMIC and its derivatives as versatile sulfonylating agents for the synthesis of p-toluenesulfonylarenes from aryl halides and arylboronic acids

Ravi Kumar,Ramesh,Banik, Swarnayu,Subba Reddy

, (2020/11/02)

An efficient copper(II) catalyzed sulfonyation of aryl halides has been achieved using TosMIC (p-toluenesulfonylmethyl isocyanide) as a sulfonylating agent. This newly developed sulfonylation approach provides an easy access for the synthesis of diaryl sulfones from aryl bromides, iodides and boronic acids with TosMIC under neutral conditions. This method is useful for the sulfonylation of aryl boronic acids under similar conditions. This is the first report on the sulfonylation of aryl bromides, iodides and boronic acids using TosMIC.

ARYL-SULFONAMIDE AND ARYL-SULFONE DERIVATIVES AS TRPML MODULATORS

-

Page/Page column 62; 63, (2018/12/03)

The new arylsulfonamide and arylsulfone derivatives are modulators of TRPML and are useful in treating disorders related to TRPML activities and lysosome functions such as acid-related disorders and cancer.

Copper-mediated sulfonylation of aryl iodides and bromides with arylsulfonyl hydrazides in PEG-400

Wu, Xiangmei,Wang, Yan

, p. 10953 - 10957 (2018/07/06)

Sulfonylation using stable and readily available arylsulfonyl hydrazides and aryl iodides or bromides mediated by cupric acetate has been achieved. Using polyethylene glycol (PEG-400) as an eco-friendly medium, the coupling reaction could afford a series of unsymmetrical diaryl sulfones in moderate to good yields without the presence of additional ligands and base.

Regioselectivity control of radiation-induced reaction: Electron beam-induced Fries rearrangement of sulfonamide within a β-cyclodextrin inclusion complex

Kato, Jun,Kakehata, Hiroyuki,Maekawa, Yasunari,Yamashita, Takashi

, p. 4498 - 4500 (2008/09/19)

EB (electron beam) irradiation of sulfonamide within a β-cyclodextrin (β-CD) inclusion complex in the solid state induced the solvent-free Fries rearrangement, which proceeded at a shorter reaction time with reversed regioselectivity by inclusion into the β-CD, compared with that of sulfonamide crystals; the β-CD as a restricted nanospace had a large effect on the reactivity and regioselectivity of the solvent-free EB-Fries rearrangement. The Royal Society of Chemistry 2006.

Electron beam-induced fries rearrangement of sulfonamide and sulfonate crystals

Kato, Jun,Maekawa, Yasunari,Yoshida, Masaru

, p. 266 - 267 (2007/10/03)

The electron beam (EB) sensitivity of sulfonic acid derivatives in the crystalline state was much higher than that of the corresponding carboxylic acid derivatives, which was distinct from the results using other energy sources such as heat and UV; especially, sulfonamide derivatives could undergo the chemoselective Fries rearrangement to give ortho and para products in the ratio of ca. 7/3 without the meta isomer. Copyright

Photo-Fries rearrangement of N-arylsulfonamides to aminoaryl sulfone derivatives

Park, Kwanghee Koh,Lee, Jin Joo,Ryu, Jaegyung

, p. 7651 - 7659 (2007/10/03)

Photochemical reaction of variously substituted p-toluenesulfonanilides was studied. The reaction gives rearranged products, o- and p-amino-substituted diaryl sulfones with the combined yields of 38-72%: the p-isomer is more favored over the o-isomer with the selectivity ratio of 1.1-4.3 depending on the substituents. N-Alkylation of the sulfonanilides increases the yields of the rearranged products, and e-withdrawing substituents on the N-phenyl ring does not lower the yields drastically. This study provides simple methodology for the synthesis of o- and p-aminoaryl sulfones which are otherwise not easily accessible.

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