597-97-7

Basic information

• Product Name: TERT-PENTYL ISOTHIOCYANATE
• Synonyms: TERT-PENTYL ISOTHIOCYANATE;1-Isothiocyanato-2,2-dimethylpropane;PUKGVWIYLYUQBU-UHFFFAOYSA-N
• CAS NO: 597-97-7
• Molecular Formula: C₆H₁₁NS
• Molecular Weight: 129.22
• Mol File: 597-97-7.mol
• Article Data: 5

Chemical Properties

• Boiling Point: 65-66°C 15mm
• Flash Point: 54.353 °C
• Appearance: /
• Density: 0.892 g/cm³
• Vapor Pressure: 1.38mmHg at 25°C
• Refractive Index: 1.471
• CAS DataBase Reference: TERT-PENTYL ISOTHIOCYANATE(CAS DataBase Reference)
• NIST Chemistry Reference: TERT-PENTYL ISOTHIOCYANATE(597-97-7)
• EPA Substance Registry System: TERT-PENTYL ISOTHIOCYANATE(597-97-7)

Safety Data

• Hazardous Substances Data: 597-97-7(Hazardous Substances Data)

Usage

InChI:InChI=1/C6H11NS/c1-6(2,3)4-7-5-8/h4H2,1-3H3

Upstream product

• 594-39-8 2-methyl-2-butylamine 
• 513-35-9 2-methyl-but-2-ene 
• 7664-93-9 sulfuric acid 
• 594-36-5 2-methyl-2-butylchloride 
• 557-42-6 zinc(II) thiocyanate 
• 463-71-8 thiophosgene 
• 594-38-7 2-iodo-2-methylbutane 
• 5336-21-0 tert-pentylamine; hydrochloride 
• 333-20-0 potassium thioacyanate 
• 75-85-4 tert-Amyl alcohol 
• 1858-25-9 phosphoryl-isothiocyanate 

Downstream Products

• 14294-17-8 N-Benzyl-N'-(tert-pentyl)-thioharnstoff 
• 549521-37-1 4-[3-(1,1-dimethyl-propyl)-4,5-dioxo-2-thioxo-imidazolidin-1-yl]-3-ethyl-benzonitrile 
• 14294-21-4 N-Cyclohexyl-N'-(tert-pentyl)-thioharnstoff 

Relevant articles and documents

Investigating the influence of steric hindrance on selective anion transport

A series of symmetrical and unsymmetrical alkyl tren based tris-thiourea anion transporters were synthesised and their anion binding and transport properties studied. Overall, increasing the steric bulk of the substituents resulted in improved chloride binding and transport abilities. Including a macrocycle in the scaffold enhanced the selectivity of chloride transport in the presence of fatty acids, by reducing the undesired H+ flux facilitated by fatty acid flip-flop. This study demonstrates the benefit of including enforced steric hindrance and encapsulation in the design of more selective anion receptors.

Ultrasound-assisted nucleophilic substitution reaction of t-Alkyl halides with zinc and titanium thiocyanate

Ultrasound promotes nucleophilic substitution of t-alkyl halides with ambident thiocyanate nucleophile, in the form of its zinc or titanium thiocyanate, under mild conditions to afford the corresponding thiocyanates selectively, in good to excellent yields. This improved synthetic methodology affords a facile access to tertiary thiols via the corresponding thiocyanate intermediates.

A Convenient Synthesis of Tertiary Isothiocyanates and Acyl Isothiocyanates Using Phosphoryl Isothiocyanate.

Phosphoryl iosthiocyanate, PO(NCS)3, reacts readily with tertiary alcohols and carboxylic acids, giving the respective tertiary isothiocyanates and acyl isothiocyanates in good yields and purity.