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1-TERT-BUTYL-1,4-DIHYDRO-TETRAZOLE-5-THIONE is a chemical with a specific purpose. Lookchem provides you with multiple data and supplier information of this chemical.

7624-35-3

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7624-35-3 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.

Check Digit Verification of cas no

The CAS Registry Mumber 7624-35-3 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 7,6,2 and 4 respectively; the second part has 2 digits, 3 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 7624-35:
(6*7)+(5*6)+(4*2)+(3*4)+(2*3)+(1*5)=103
103 % 10 = 3
So 7624-35-3 is a valid CAS Registry Number.
InChI:InChI=1/C5H10N4S/c1-5(2,3)9-4(10)6-7-8-9/h1-3H3,(H,6,8,10)

7624-35-3SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name 1-tert-butyl-2H-tetrazole-5-thione

1.2 Other means of identification

Product number -
Other names 1-tert-butyl-1H-tetrazole-5-thiol

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:7624-35-3 SDS

7624-35-3Upstream product

7624-35-3Relevant academic research and scientific papers

5-Mercaptotetrazolyl-derived metallaboratranes

Hill, Anthony F.,Schwich, Torsten,Xiong, Yaoyao

, p. 2367 - 2376 (2019)

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).

Total Synthesis and Bioactivity Studies of Fungal Metabolite (-)-TAN-2483B

McCone, Jordan A. J.,Somarathne, Kalpani K.,Orme, Christopher L.,Hewitt, Russell J.,Grant, Elysha-Rose,Hall, Kelsi R.,Ackerley, David F.,La Flamme, Anne C.,Harvey, Joanne E.

supporting information, p. 9427 - 9432 (2020/12/23)

The first total synthesis of (-)-TAN-2483B, a fungal metabolite possessing a densely functionalized furo[3,4-b]pyran-5-one framework, is achieved in 14 steps from d-mannose. Generation of the 2,6-trans-pyran is by cyclopropane ring expansion followed by α-selective alkynylation. Julia-Kocienski olefination introduces the E-propenyl side chain. Alkyne functionalization and carbonylation stereoselectively establish the bicyclic core of (-)-TAN-2483B. Inhibition of kinases Btk and Bmx, bacterial priority pathogens, and cytokine production in splenocytes indicates promising therapeutic potential.

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

Sakaine, Guna,Smits, Gints

, p. 5323 - 5330 (2018/05/15)

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

4,5-Disubstituted N-Methylimidazoles as Versatile Building Blocks for Defined Side-Chain Introduction

Przybyla, Daniel,Nubbemeyer, Udo

supporting information, p. 695 - 703 (2017/02/05)

Fungerin is a 1,4,5-trisubstituted imidazole natural product characterised by a broad spectrum of antifungal activities. We planned to develop flexible strategies to access to such compounds. Imidazoles bearing suitable anchor groups at C-4 and C-5 allow the introduction of various substituted side-chains, generating libraries of fungerin derivatives for biological tests. Starting from commercially available reactants, two N-methyl 4,5-substituted imidazole core units were synthesised. Derivatives of type 1 contained two orthogonally protected C-1 anchors. Selective side-chain introduction was achieved through a sequence of Grignard coupling at C-5 to replace a tosylate and a Horner olefination through an aldehyde attached to C-4. Two target fungerin derivatives were synthesised. Since the organometallic substitution of the C-5-CH2-positioned leaving group proved to suffer from limitations concerning potential competing side-reactions, a type 2 imidazole core was built up. These structures had a halogen centre at C-4 and a hydroxyethyl anchor at C-5. Now, selective side-chain introduction allowed us to use Julia olefination to form the allyl side-chain at C-5 and Heck reactions to introduce the C-4 acryl substituents. Eight derivatives, including fungerin, were synthesised by this latter strategy, without producing any regioisomers. The second approach had the advantage that various side-chains could be coupled at C-4 and C-5 in two final steps. Thus, this strategy represents a versatile way to build up libraries of fungerin derivatives for biological testing.

Sultones and Sultines via a Julia-Kocienski Reaction of Epoxides

Smith, Geoffrey M. T.,Burton, Paul M.,Bray, Christopher D.

supporting information, p. 15236 - 15240 (2016/01/25)

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.

1-tert-Butyl-1H-tetrazol-5-yl fluoromethyl sulfone (TBTSO2CH2F): A versatile fluoromethylidene synthon and its use in the synthesis of monofluorinated alkenes via JuliaKocienski olefination

Zhu, Lingui,Ni, Chuanfa,Zhao, Yanchuan,Ru, Jinbo

supporting information; experimental part, p. 5089 - 5100 (2010/08/20)

1-tert-Butyl-IH-tetrazol-5-yl fluoromethyl sulfone (TBTSO 2CI-12F) has been developed as a new and efficient fluoromethylidene synthon for the synthesis of both terminal and internal monofluoroalkenes via JuliaKocienski olefination reaction. The base-mediated reaction between TBTSO2CI-12F and carbonyl compounds (aldehydes and ketones) provided terminal monofluoroalkenes in good yields with moderate E!Z selectivity. The dominance of E- or Z-fluoroalkenes could be controlled by selection of proper reaction solvent and temperature. TBTSO 2CI-12F reagent was also found to be readily CL-alkylated, acylated, and phenylsulfonylated to give corresponding CL-functionalized fluorosulfones, which could be used in the synthesis of alkyl-, acyl-, and phenylsulfonyl-substituted internal monofluoroalkenes via JuliaKocienski olefination reactions.

Improved Julia-Kocienski conditions for the methylenation of aldehydes and ketones

Aissa, Christophe

, p. 360 - 363 (2007/10/03)

The scope of the methylenation of aldehydes and ketones under optimized Julia-Kocienski conditions is broadened by using 1-tert-butyl-1H-tetrazol-5- ylmethyl sulfone. Two different Barbier-type procedures are applied with NaHMDS at -78 °C or Cs2CO3 at 70 °C. The latter conditions are also adapted for the preparation of 1,2-disubstituted olefins and intramolecular olefination reactions.

1-tert-Butyl-1H-tetrazol-5-yl sulfones in the modified Julia olefination

Kocienski, Philip J.,Bell, Alan,Blakemore, Paul R.

, p. 365 - 366 (2007/10/03)

The improved stability of metallated 1-tert-butyl-1H-tetrazol-5-yl sulfones enhances the scope and efficiency of the modified Julia olefination. 1-tert-Butyl-1H-tetrazol-5-yl sulfones further stabilised by benzylic or allylic conjugation give alkenes with

Synthesis and Photolysis of 1,4-Dialkyl-1,4-dihydro-5H-tetrazol-5-ones and -thiones. A Novel Approach to Diaziridinones and Carbodiimides

Quast, Helmut,Bieber, Lothar

, p. 3253 - 3272 (2007/10/02)

The regioselective alkylation of the 1-tert-butyl-1,4-dihydro-5H-tetrazol-5-one (7) produced the 1,4-dialkyltetrazolones 8b and c.The electron impact induced decomposition of the known, most simple tetrazolone 8a proceeded via a cycloelimination into methyl azide and methyl isocyanate.On photolysis in acetonitrile or pentane, the tetrazolones 8 lost nitrogen and formed 1,2-dialkyldiaziridinones 24, of which 24c was isolated in pure form.Very reactive alkylating reagents, e.g. methyl fluorosulfonate, trimethyloxonium tetrafluoroborate, or tert-butyl alcohol/tetrafluoroboric acid in ether, preferentially alkylated N-3 of 1-methyl-5-(methylthio)-1H-tetrazole (9a); dimethyl sulfate reacted almost equally at N-3 or N-4.In the mixture of the salts 10a and 11a obtained in this way, only 11a was demethylated at the sulfur atom by triethylamine in acetonitrile affording the easily separable tetrazolethione 5a.Diazomethane methylated 1-tert-butyl-1,4-dihydro-5H-tetrazole-5-thione (18b) predominantly at the sulfur atom.In contrast, 2-diazopropane gave approximately equal fractions of S-alkylation and N-4-alkylation producing the tetrazolethione 5c.Besides fragment ions resulting from cycloelimination products, in the electron impact induced decomposition of the most simple tetrazolethione 5a, ions were observed which correspond to loss of nitrogen from the molecular ion.On photolysis in alkanes or acetonitrile in the temperature range between +20 and -40 deg C the tetrazolethiones lost nitrogen furnishing high yields of sulfur and the carbodiimides 30.

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