1632-84-4

Basic information

• Product Name: 4-(METHYLTHIO)PHENYL ISOCYANATE
• Synonyms: 4-(METHYLSULFANYL)PHENYL ISOCYANATE;4-(METHYLTHIO)PHENYL ISOCYANATE;1-isocyanato-4-(methylthio)benzene;4-(Methylthio)phenyl isocyanate,97%;4-(Methylthio)phenyl isocyanate, 97% 10GR;(4-isocyanatophenyl)(Methyl)sulfane;4-(Methylthio)phenyl isocyanate 97%;1-isocyanato-4-methylsulfanylbenzene
• CAS NO: 1632-84-4
• Molecular Formula: C₈H₇NOS
• Molecular Weight: 165.21
• EINECS: -0
• Product Categories: Isocyanates;Nitrogen Compounds;Organic Building Blocks
• Mol File: 1632-84-4.mol
• Article Data: 6

Chemical Properties

• Boiling Point: 117-118 °C8 mm Hg(lit.)
• Flash Point: 220 °F
• Appearance: /
• Density: 1.176 g/mL at 25 °C(lit.)
• Vapor Pressure: 0.0207mmHg at 25°C
• Refractive Index: n20/D 1.606(lit.)
• Sensitive: Moisture Sensitive
• BRN: 1936612
• CAS DataBase Reference: 4-(METHYLTHIO)PHENYL ISOCYANATE(CAS DataBase Reference)
• NIST Chemistry Reference: 4-(METHYLTHIO)PHENYL ISOCYANATE(1632-84-4)
• EPA Substance Registry System: 4-(METHYLTHIO)PHENYL ISOCYANATE(1632-84-4)

Safety Data

• Hazard Codes: Xn
• Statements: 20/21/22-37/38-41-42
• Safety Statements: 23-26-36/37/39-45
• RIDADR: UN 2206 6.1/PG 3
• WGK Germany: 3
• HazardClass: 6.1
• PackingGroup: III
• Hazardous Substances Data: 1632-84-4(Hazardous Substances Data)

Usage

Description

4-(METHYLTHIO)PHENYL ISOCYANATE, also known as (4-Isocyanatophenyl)(methyl)sulfane, is a clear yellow to orange liquid that serves as a valuable research intermediate for various organic synthetic transformations. It is primarily recognized for its role in the preparation of isocorydine derivatives, which exhibit significant anticancer properties.

Uses

Used in Pharmaceutical Industry:
4-(METHYLTHIO)PHENYL ISOCYANATE is used as a research intermediate for the synthesis of isocorydine derivatives, which are known for their anticancer properties. The compound plays a crucial role in the development of potential pharmaceuticals that target cancer cells and contribute to the advancement of cancer treatment options.
Used in Organic Synthesis:
In the field of organic chemistry, 4-(METHYLTHIO)PHENYL ISOCYANATE is utilized as a versatile intermediate for various synthetic transformations. Its unique chemical structure allows for the creation of a wide range of compounds with diverse applications, including pharmaceuticals, agrochemicals, and other specialty chemicals.
Used in Anticancer Research:
4-(METHYLTHIO)PHENYL ISOCYANATE is used as a key component in the preparation of isocorydine derivatives, which have demonstrated potential as anticancer agents. These derivatives are being studied for their ability to inhibit the growth and progression of various types of cancer, making them a promising avenue for cancer research and treatment development.

InChI:InChI=1/C8H7NOS/c1-11-8-4-2-7(3-5-8)9-6-10/h2-5H,1H3

Upstream product

• 32315-10-9 bis(trichloromethyl) carbonate 
• 104-96-1 4-methylsulfanylaniline 
• 123-09-1 4-chlorophenyl methyl sulfide 
• 917-61-3 sodium isocyanate 

Downstream Products

• 55225-12-2 4-(methylthio)-3',5'-bis(trifluoromethyl)carbanilide 
• 249889-60-9 1-(4-methylthiophenyl)-3-([1,5]naphthyridin-4-yl)urea hydrochloride 
• 82768-00-1 5-chloromethyl-3-[4-methylthiophenyl]-2-oxazolidinone 
• 1046354-17-9 5'-deoxy-5'-{[4-(methylthio)anilinocarbonyl]amino}thymidine 
• 121373-24-8 (R)-<3-<4-(methylthio)phenyl>-2-oxo-5-oxazolidinyl>methyl 4-methylbenzenesulfonate 
• 1425783-87-4 4-bromobenzyl (4-(methylthio)phenyl)carbamate 

Relevant articles and documents

Electrochemically Enabled Intramolecular Aminooxygenation of Alkynes via Amidyl Radical Cyclization

An electrochemical synthesis of oxazol-2-ones and imidazol-2-ones has been developed via 5-exo-dig cyclization of propargylic carbamates- and ureas-derived amidyl radicals. The electrosynthesis relies on the dual function of 2,2,6,6-tetramethylpiperidin- 1-yl)oxyl (TEMPO) as a redox mediator for amidyl radical formation and an oxygen atom donor. The reactions are conducted under mild conditions using a simple setup and provide convenient access to functionalized oxazol-2-ones and imidazol-2-ones from readily available materials.

Carbonyldiimidazole-mediated lossen rearrangement

[Chemical Equation Presented] Carbonyldiimidazole (CDI) was found to mediate the Lossen rearrangement of various hydroxamic acids to isocyanates. This process is experimentally simple and mild, with imidazole and CO 2 being the sole stoichiometric byproduct. Significant for large-scale application, the method avoids the use of hazardous reagents and thus represents a green alternative to standard processing conditions for the Curtius and Hofmann rearrangements.

Small molecule modulators of non-endogenous, constitutively activated human serotonin receptors

Disclosed herein are non-endogenous, constitutively activated forms of the human 5-HT2A and human 5-HT2C receptors and uses of such receptors to screen candidate compounds. Further disclosed herein are candidate compounds identified by the screening method which act at the 5HT2A receptors. Yet further disclosed is a new class of compounds which act at the 5HT2A receptors.