25343-70-8

Basic information

• Product Name: 2,6-DIISOPROPYLPHENYL ISOTHIOCYANATE
• Synonyms: 1,3-Diisopropyl-2-isothiocyanatobenzene;2,6-DIISOPROPYLPHENYL ISOTHIOCYANATE;2,6-DIISOPROPYLPHENYL ISOTHIOCYANATE: 92% (CONTAINS 7-8% ISOMERS);2,6-DIISOPROPYLPHENYL ISOTHIOCYANATE: TECH., 90%;2,6-DIISOPROPYLPHENYL ISOTHIOCYANATE ~92%;2,6-Diisopropylphenyl isothiocyate, ca. 92% (contains 7-8% isomers)
• CAS NO: 25343-70-8
• Molecular Formula: C₁₃H₁₇NS
• Molecular Weight: 219.35
• EINECS: -0
• Mol File: 25343-70-8.mol
• Article Data: 9

Chemical Properties

• Boiling Point: 140°C 5mm
• Flash Point: 139-140°C/5mm
• Appearance: /
• Density: 1,01 g/cm3
• Vapor Pressure: 0.00139mmHg at 25°C
• Refractive Index: 1.5830
• Sensitive: Moisture Sensitive
• BRN: 2416576
• CAS DataBase Reference: 2,6-DIISOPROPYLPHENYL ISOTHIOCYANATE(CAS DataBase Reference)
• NIST Chemistry Reference: 2,6-DIISOPROPYLPHENYL ISOTHIOCYANATE(25343-70-8)
• EPA Substance Registry System: 2,6-DIISOPROPYLPHENYL ISOTHIOCYANATE(25343-70-8)

Safety Data

• Statements: R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.; R36/37/38:Irritating to eyes, respiratory system
• Safety Statements: S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S36/37/39:Wear suitabl
• RIDADR: 2810
• HazardClass: 6.1
• PackingGroup: II
• Hazardous Substances Data: 25343-70-8(Hazardous Substances Data)

Usage

Synthesis Reference(s)

Synthesis, p. 825, 1984 DOI: 10.1055/s-1984-30979

InChI:InChI=1/C13H17NS/c1-9(2)11-6-5-7-12(10(3)4)13(11)14-8-15/h5-7,9-10H,1-4H3

Upstream product

• 24544-04-5 2,6-diisopropylbenzenamine 
• 81290-20-2 (trifluoromethyl)trimethylsilane 
• 136551-45-6 2,6-diisopropyl-1-azidobenzene 
• 75-15-0 carbon disulfide 
• 84250-69-1 N-(2,6-diisopropylphenyl)formamide 
• 463-71-8 thiophosgene 
• 103-72-0 phenyl isothiocyanate 
• 32978-17-9 N'-phenyl-N-(2,6-diisopropylphenyl)thiourea 

Downstream Products

• 67331-03-7 1-sec-Butyl-3-(2,6-diisopropyl-phenyl)-thiourea 
• 68065-41-8 N-(2,6-Diisopropylphenyl)-N'-methallylthioharnstoff 
• 69923-73-5 1-(2,6-Diisopropyl-phenyl)-3-(1,1-dimethyl-propyl)-2-methyl-isothiourea 

Relevant articles and documents

A Facile One-Pot Synthesis of 1,2,3-Tri- and 1,1,2,3-Tetrasubstituted Bis(guanidine)s from Bis(thiourea)s

A facile and efficient one-pot strategy for the preparation of 1,2,3-tri- and 1,1,2,3-tetrasubstituted bis(guanidine)s by starting from from readily available bis(thiourea)s has been successfully developed. The reaction provides products that contain a range of terminal and bridging groups. After a simple workup procedure, the products were obtained in analytically pure and in good to excellent yields.

Synthesis methods for isothiocyanate derivative

The invention discloses synthesis methods for an isothiocyanate derivative. The first synthesis method includes reacting raw materials, including primary amine, trifluoromethyltrimethylsilane, potassium fluoride and sulfur, with an organic solvent at the room temperature to obtain the isothiocyanate derivative. The synthetic isothiocyanate derivative has the advantages of simple operation, safety,high efficiency, non-toxicity, low raw material price, mild condition, high yield, wide application range of substrates, high compatibility of functional groups and the like. The second synthesis method includes reacting raw materials, including the primary amine, silver trifluoromethane and potassium bromide, with the organic solvent at the room temperature to obtain the isothiocyanate derivative. The isothiocyanate derivative has the advantages of simple operation, safety, high efficiency, easy availability of the raw materials, nearly quantitative yield, wide application range of the substrates, applicability to selective post-modification of drugs or complex compounds, and the like.

Chiral recognition with a benzofuran receptor that mimics an oxyanion hole

A new chiral benzofuran receptor has been synthesized and its properties in the association of amino acid derivatives have been studied. X-ray structures were obtained and these corroborate the presence of an oxyanion-hole motif in these structures.