7624-35-3

Basic information

• Product Name: 1-TERT-BUTYL-1,4-DIHYDRO-TETRAZOLE-5-THIONE
• Synonyms: 1-TERT-BUTYL-1,4-DIHYDRO-TETRAZOLE-5-THIONE;RARECHEM AQ NN 0478
• CAS NO: 7624-35-3
• Molecular Formula: C₅H₁₀N₄S
• Molecular Weight: 158.22
• Mol File: 7624-35-3.mol
• Article Data: 9

Chemical Properties

• Melting Point: 98-99 °C
• Boiling Point: 168.6°C at 760 mmHg
• Flash Point: 55.8°C
• Appearance: /
• Density: 1.31g/cm³
• Vapor Pressure: 1.61mmHg at 25°C
• Refractive Index: 1.639
• PKA: 0.70±0.20(Predicted)
• CAS DataBase Reference: 1-TERT-BUTYL-1,4-DIHYDRO-TETRAZOLE-5-THIONE(CAS DataBase Reference)
• NIST Chemistry Reference: 1-TERT-BUTYL-1,4-DIHYDRO-TETRAZOLE-5-THIONE(7624-35-3)
• EPA Substance Registry System: 1-TERT-BUTYL-1,4-DIHYDRO-TETRAZOLE-5-THIONE(7624-35-3)

Safety Data

• Hazardous Substances Data: 7624-35-3(Hazardous Substances Data)

Usage

Chemical Class

Tetrazole

Physical Appearance

Yellow to brown powder

Molecular Weight

161.24 g/mol

Usage

Pharmaceutical industry (intermediate for drug synthesis), material science (building block for novel polymers and materials)

Pharmaceutical Applications

Synthesis of antihypertensive and antifungal agents

Biological Activities

Anti-inflammatory and antioxidant properties

Investigation

Potential for additional biological activities and applications.

InChI:InChI=1/C5H10N4S/c1-5(2,3)9-4(10)6-7-8-9/h1-3H3,(H,6,8,10)

Upstream product

• 590-42-1 tert-butyl isothiocyanate 

Downstream Products

• 273730-79-3 5-benzylsulfanyl-1-tert-butyl-1H-tetrazole 
• 887278-73-1 5-(6-benzyloxy-(3R)-3-methylhexylsulfanyl)-1-tert-butyl-1H-tetrazole 
• 887278-74-2 5-(6-benzyloxy-(3R)-3-methylhexylsulfonyl)-1-tert-butyl-1H-tetrazole 
• 873869-19-3 1-(tert-butyl)-5-(methylsulfonyl)-1H-tetrazole 
• 273730-81-7 1-tert-butyl-5-phenylmethanesulfonyl-1H-tetrazole 

Relevant articles and documents

5-Mercaptotetrazolyl-derived metallaboratranes

The reactions of 1-tert butyl-5-thiotetrazole (HtttBu) with Na[BH4] provides Na[H2B(tttBu)2] (Na[1]) or Na[HB(tttBu)3] (Na[2]) in refluxing THF or xylene, respectively. Treating [RuCl(Ph)(CO)(PPh3)2] with Na[2] affords the triply-buttressed ruthenaboratrane [Ru(CO)(PPh3){κ4-B,S,S′,S′′-B(tttBu)3}] (5) whilst Na[1] with [IrCl(CO)(PPh3)2] or [RuCl(Ph)(CO)(PPh3)2] provides rare examples of doubly-buttressed metallaboratranes [IrH(CO)(PPh3){κ3-B,S,S′-BH(tttBu)2}] (7) and [Ru(CO)(PPh3)2{κ3-B,S,S′-BH(tttBu)2}] (12), the latter via the isolable thiotetrazoylborate complex [Ru(Ph)(CO)(PPh3){κ3-H,S,S′-H2B(tttBu)2}] (11).

Modified Julia-Kocienski Reagents for a Stereoselective Introduction of Trisubstituted Double Bonds: A Formal Total Synthesis of Limazepine e and Barmumycin

A formal total synthesis of pyrrolo[1,4]benzodiazepine anticancer antibiotic family member limazepine E is described. The synthesis features a stereoselective introduction of a trisubstituted double bond using novel sterically demanding Julia-Kocienski re

Sultones and Sultines via a Julia-Kocienski Reaction of Epoxides

The development of the homologous Julia-Kocienski reaction has led to the discovery of two new reaction modes of epoxides with sulfones. These pathways allow rapid and direct access to a range of γ-sultones and γ-sultines.