18991-39-4

Basic information

• Product Name: 4-Methyl Thio Benzyl Cyanide
• Synonyms: 4-Methyl Thio Benzyl Cyanide;1-Methyl-4-(thiocyanatomethyl)benzene;Thiocyanic acid,(4-Methylphenyl)Methyl ester;1-Methyl-4-(thiocyanatomethyl);4-Methylbenzyl thiocyate, 98%
• CAS NO: 18991-39-4
• Molecular Formula: C₉H₉NS
• Molecular Weight: 161.22358
• Mol File: 18991-39-4.mol
• Article Data: 15

Chemical Properties

• Boiling Point: 275.5 °C at 760 mmHg
• Flash Point: 120.4 °C
• Appearance: /
• Density: 1.119 g/cm³
• Vapor Pressure: 0.00508mmHg at 25°C
• Refractive Index: 1.579
• CAS DataBase Reference: 4-Methyl Thio Benzyl Cyanide(CAS DataBase Reference)
• NIST Chemistry Reference: 4-Methyl Thio Benzyl Cyanide(18991-39-4)
• EPA Substance Registry System: 4-Methyl Thio Benzyl Cyanide(18991-39-4)

Safety Data

• HazardClass: IRRITANT
• Hazardous Substances Data: 18991-39-4(Hazardous Substances Data)

Usage

General Description

4-Methyl Thio Benzyl Cyanide is a chemical compound with the molecular formula C9H9NS. It is a yellow liquid with a molecular weight of 163.24 g/mol. 4-Methyl Thio Benzyl Cyanide is used as a raw material for the synthesis of organic compounds, particularly in the pharmaceutical and agrochemical industries. It is also used as a flavor and fragrance ingredient. 4-Methyl Thio Benzyl Cyanide is known for its strong odor and has potential applications in the development of new drugs and pesticides. However, it is important to handle this chemical with care as it can be hazardous if not used properly.

InChI:InChI=1/C9H9NS/c1-8-2-4-9(5-3-8)6-11-7-10/h2-5H,6H2,1H3

Upstream product

• 2290-65-5 trimethylsilyl isothiocyanate 
• 104-81-4 4-Methylbenzyl bromide 
• 592-85-8 mercury(II) thiocyanate 
• 540-72-7 sodium thiocyanide 
• 76950-78-2 1-(4-Methyl-benzyl)-2-methylsulfanyl-4,6-diphenyl-pyridinium; iodide 
• 1147550-11-5 ammonium thiocyanate 
• 89200-92-0 trimethyl(4-methylbenzyloxy)silane 
• 333-20-0 potassium thioacyanate 
• 3694-46-0 p-methylbenzyl isothiocyanate 
• 104-82-5 4-Methylbenzyl chloride 
• 83319-09-9 C₂₆H₂₄NS⁽¹⁺⁾*CNS^(1-) 
• 106-42-3 para-xylene 
• 589-18-4 4-Methylbenzyl alcohol 
• 557-42-6 zinc(II) thiocyanate 

Downstream Products

• 35278-95-6 N,N-piperidyl-1-p-tolylmethanamine 
• 20193-94-6 bis-(4-methyl-benzyl)-disulfide 
• 22205-64-7 piperidine thiocyanate 
• 104-82-5 4-Methylbenzyl chloride 
• 3694-46-0 p-methylbenzyl isothiocyanate 
• 210625-99-3 bis(4-methylbenzylthio)acetylene 
• 721-45-9 1,4-dimethyl-2-(4-methylbenzyl)benzene 
• 210626-06-5 1H-3-iodo-4-(4-methylbenzylthio)-6-methylbenzothiopyran 
• 34306-01-9 N-ethyl-N-(4-methylbenzyl)ethanamine 
• 17271-89-5 4-methylphenylmethylazide 
• 5925-57-5 methyl p-methylbenzyl thioether 
• 5023-65-4 4-methylbenzyl phenyl sulfide 
• 85372-19-6 4-methylbenzyl phenyl disulfide 
• 882-33-7 diphenyldisulfane 

Relevant articles and documents

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AIBN-initiated direct thiocyanation of benzylic sp3C-H with: N -thiocyanatosaccharin

Direct thiocyanations of benzylic compounds have been implemented. Here, a new strategy, involving a free radical reaction pathway initiated by AIBN, was used to construct the benzylic sp3 C-SCN bond. In this way, the disadvantage of other strategies involving introducing leaving groups in advance to synthesize benzyl thiocyanate compounds was overcome. The currently developed protocol also involved the use of readily available raw materials and resulted in high product yields (up to 100%), both being great advantages for synthesizing benzyl thiocyanates.

PEG-DIL-based MnCl42?: A novel phase transfer catalyst for nucleophilic substitution reactions of benzyl halides

Poly(ethylene glycol) dicationic ionic liquid-based MnCl42? was prepared by nucleophilic substitution of poly(ethylene glycol) dichloride with methylimidazole followed by reaction with MnCl2. The structural properties of the catalyst were systematically investigated using Fourier transform infrared, UV–visible and Raman spectra and thermogravimetric analysis. The application of this catalyst allows the synthesis of a variety of benzyl thiocyanates and azides in high yield under reflux conditions in water. The main advantages of this method are its easy nature, rapidity, environmental benignity and high yields.

Microwave-assisted synthesis of alkyl thiocyanates

Microwave irradiation accelerated the reaction of t-alkyl, allyl, and benzyl halides with Zn(SCN)2 to afford thiocyanates in excellent yields and high selectivity with the formation of isothiocyanates only in minor proportions. Because thiocyanates are stable intermediates to thiols, the method also affords facile access to corresponding thiols.