31088-81-0

Basic information

• Product Name: 1-tert-Butyl-4-isothiocyanatomethylbenzene
• Synonyms: 1-(1,1-Dimethylethyl)-4-(isothiocyanatomethyl)benzene;1-tert-Butyl-4-isothiocyanatomethylbenzene;4-tert-Butylbenzyl isothiocyanate
• CAS NO: 31088-81-0
• Molecular Formula: C₁₂H₁₅NS
• Molecular Weight: 205.3192
• Mol File: 31088-81-0.mol
• Article Data: 4

Chemical Properties

• Boiling Point: 296.2°C at 760 mmHg
• Flash Point: 137.1°C
• Appearance: /
• Density: 0.96
• Vapor Pressure: 0.00257mmHg at 25°C
• Refractive Index: 1.527
• CAS DataBase Reference: 1-tert-Butyl-4-isothiocyanatomethylbenzene(CAS DataBase Reference)
• NIST Chemistry Reference: 1-tert-Butyl-4-isothiocyanatomethylbenzene(31088-81-0)
• EPA Substance Registry System: 1-tert-Butyl-4-isothiocyanatomethylbenzene(31088-81-0)

Safety Data

• Hazardous Substances Data: 31088-81-0(Hazardous Substances Data)

Usage

General Description

1-tert-Butyl-4-isothiocyanatomethylbenzene is a chemical compound with the molecular formula C12H15NS. It is a benzene derivative containing a tert-butyl group and an isothiocyanatomethyl group. 1-tert-Butyl-4-isothiocyanatomethylbenzene is commonly used as an intermediate in the synthesis of pharmaceuticals and agrochemicals. It is also used as a reagent in organic chemistry reactions, particularly in the formation of carbon-sulfur bonds. 1-tert-Butyl-4-isothiocyanatomethylbenzene is a colorless to pale yellow liquid with a strong odor, and it is considered to be a hazardous chemical with potential health and environmental risks.

InChI:InChI=1/C12H15NS/c1-12(2,3)11-6-4-10(5-7-11)8-13-9-14/h4-7H,8H2,1-3H3

Upstream product

• 333-20-0 potassium thioacyanate 
• 18880-00-7 1-(bromomethyl)-4-(1,1-dimethylethyl)benzene 
• 39895-55-1 4-(1,1-dimethylethyl)-benzenemethanamine 
• 96989-50-3 di-2-pyridyl thionocarbonate 
• 463-71-8 thiophosgene 

Downstream Products

• 824937-61-3 N-[(2R)-3-phenyl-1-pivaloyloxy-2-propyl]-N'-[(R)-α-methyl-4-nitrobenzyl]thiourea 
• 134232-41-0 N-(4-tert-butyl)benzyl thiourea 
• 401907-17-3 1-(4-t-butylbenzyl)-3-(4-methanesulfonylbenzyl)thiourea 
• 401907-21-9 1-(4-t-butylbenzyl)-3-(3-cyanopyrazin-2-ylmethyl)thiourea 
• 401907-22-0 1-(4-t-butylbenzyl)-3-(4-amino-2,5-difluorobenzyl)thiourea 

Relevant articles and documents

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Novel thiourea derivatives and the pharmaceutical compositions containing the same

The present invention relates to novel thiourca derivatives as a modulator for vanilloid receptor (VR) and the phar- maceutical compositions containing the same. As diseases associated with the activity of vanilloid receptor, pain acute pain, chronic pain, neuropathic pain, post-operative pain, migraine, arthralgia, neuropathies, nerve injury, diabetic neuropathy, neurodegeneration, neurotic skin disorder, stroke, urinary bladder hypersensitiveness, irritable bowel syndrome, a respiratory disorder such as asthma or chronic obstructive pulmonary disease, irritation of skin, eye or mucous membrane, fervescence, stomach-duodenal ulcer, inflam- matory bowel disease and inflammatory diseases can be enumerated. The present invention provides a pharmaceutical composition for prevention or treatment of these diseases.