51419-59-1

Basic information

• Product Name: 4-Methylbenzylsulfonyl chloride
• Synonyms: (4-Methylphenyl)methanesulfonyl chloride, 4-Methylbenzenemethanesulfonyl chloride, p-Methyl-α-toluenesulfonyl chloride, p-Tolylmethanesulfonyl chloride;^a-p-Xylenesulfonyl chloride, 97%;alpha-p-Xylenesulfonyl chloride, 97%;(4-Methylphenyl)methanesulfonyl chloride, TECH;4-Methylbenzylsulfon;BenzeneMethanesulfonylchloride, 4-Methyl-;4-Methylbenzylsulfonyl chloride 96%;P-TOLYL-METHANESULFONYL CHLORIDE
• CAS NO: 51419-59-1
• Molecular Formula: C₈H₉ClO₂S
• Molecular Weight: 204.67
• Product Categories: Fluorobenzene;Phenyls & Phenyl-Het;Sulphonyl Chlorides;Phenyls & Phenyl-Het;Sulphonyl Chlorides
• Mol File: 51419-59-1.mol

Chemical Properties

• Melting Point: 76-80 °C
• Boiling Point: 305.2 °C at 760 mmHg
• Flash Point: 138.4 °C
• Appearance: /
• Density: 1.325 g/cm³
• Vapor Pressure: 0.0015mmHg at 25°C
• Refractive Index: 1.556
• Storage Temp.: 2-8°C
• Sensitive: Moisture Sensitive
• CAS DataBase Reference: 4-Methylbenzylsulfonyl chloride(CAS DataBase Reference)
• NIST Chemistry Reference: 4-Methylbenzylsulfonyl chloride(51419-59-1)
• EPA Substance Registry System: 4-Methylbenzylsulfonyl chloride(51419-59-1)

Safety Data

• Hazard Codes: C,Xi
• Statements: 22-34
• Safety Statements: 26-28-36/37/39-45
• RIDADR: UN 3261 8/PG 2
• WGK Germany: 3
• HazardClass: 8
• PackingGroup: II
• Hazardous Substances Data: 51419-59-1(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Industry:
4-Methylbenzylsulfonyl chloride is used as a synthetic reagent for the production of (R)-1-alkyl-substituted tetrahydro-β-carbolines, which are important intermediates in the synthesis of various pharmaceutical compounds. These compounds have potential applications in the development of new drugs targeting various diseases and conditions.
Used in Chemical Synthesis:
In the field of chemical synthesis, 4-Methylbenzylsulfonyl chloride is used as a protecting group for amines and alcohols during organic reactions. Its use as a protecting group helps prevent unwanted side reactions and allows for selective functionalization of specific groups in a molecule, which is crucial for the synthesis of complex organic compounds.
Used in Research and Development:
4-Methylbenzylsulfonyl chloride is also utilized in research and development for the synthesis of various organic compounds, including pharmaceuticals, agrochemicals, and other specialty chemicals. Its versatility as a reagent makes it a valuable tool for chemists working on the design and synthesis of novel molecules with potential applications in various industries.

Synthesis Reference(s)

Tetrahedron Letters, 25, p. 4553, 1984 DOI: 10.1016/S0040-4039(01)81491-X

InChI:InChI=1/C8H9ClO2S/c1-7-2-4-8(5-3-7)6-12(9,10)11/h2-5H,6H2,1H3

Upstream product

• 4498-99-1 4-methylbenzylthiol 
• 28868-76-0 2-chlorodimethylmalonate 
• 104-82-5 4-Methylbenzyl chloride 
• 104-81-4 4-Methylbenzyl bromide 
• 940-63-6 amino[(4-methylbenzyl)thio]methaniminium chloride 

Downstream Products

• 1588-49-4 4,4'-dimethylstilbene 
• 51392-39-3 (α-Chlor-4-methylbenzyl)(4-methylbenzyl)sulfon 
• 126423-73-2 (1'S,2'R,3'R,4S,5R)-5-<2'-Hydroxy-1'-<(4-methylphenyl)methanesulfonamido>propyl>-3,4-(2-propylidenedioxy)cyclohexanone 
• 147514-08-7 5,6-O-(2-Propylidene)-N-desalanyl-N-<(4-methylphenyl)methanesulfonyl>actinobolin 
• 147425-45-4 (1'R,2'S,3'R,4S,5R)-4-<5'-Oxo-2',3'-(2-propylidenedioxy)cyclohexyl>-5-methyl-3-<(4-methylphenyl)methanesulfonyl>-2-oxazolidinone 
• 936098-31-6 methyl 3-[4-chloro-2-({(3S)-3-methyl-4-[(4-methylbenzyl)sulfonyl]piperazin-1-yl}methyl)phenyl]propanoate 
• 950232-83-4 C₁₅H₁₇NO₂S 
• 1610952-21-0 1'-[2-(difluoromethoxy)benzyl]-8-[(4-methylbenzyl)sulfonyl]-2'H,5'H-spiro[8-azabicyclo[3.2.1]octane-3,4'-imidazolidine]-2',5'-dione 
• 1443468-86-7 C₂₄H₂₆N₄O₄S 
• 1360613-68-8 17β-(4'-methylbenzyl)sulfonamide-1,3,5(10)-estratrien-3-ol 
• 1308685-69-9 C₂₀H₃₂N₆O₇S 
• 1335016-00-6 2-(4-(4-(4-methylbenzylsulfonyl)piperazine-1-carbonyl)phenyl)quinazolin-4(3H)-one 
• 1092690-50-0 1-(4-methylbenzylsulfonyl)-1H-benzo[d][1,2,3]triazole 

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