Home Oxazoles 2382-96-9
2382-96-9,MFCD00005769
Catalog No.:AA003HFJ

2382-96-9 | 2-Mercaptobenzoxazole

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1g
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$18.00   $13.00
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5g
95%
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$26.00   $18.00
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25g
98%
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$31.00   $22.00
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100g
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$85.00   $60.00
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500g
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  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA003HFJ
Chemical Name:
2-Mercaptobenzoxazole
CAS Number:
2382-96-9
Molecular Formula:
C7H5NOS
Molecular Weight:
151.1857
MDL Number:
MFCD00005769
SMILES:
Sc1nc2c(o1)cccc2
Properties
Properties
 
BP:
360°C (rough estimate)  
Form:
Solid  
MP:
192-195 °C(lit.)  
Refractive Index:
1.5500 (estimate)  
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
160  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
XLogP3:
1.8  

Upstream Synthesis Route

[1]Patent:US4517370,1985,A,

[2]HeteroatomChemistry,2001,vol.12,#3,p.151-155

[3]BioorganicandMedicinalChemistry,2016,vol.24,#21,p.5374-5379

[4]Patent:CN108794421,2018,A,.Locationinpatent:Paragraph0028-0030

[5]Tetrahedron,1986,vol.42,#14,p.3905-3912

[6]JournalofMedicinalChemistry,1988,vol.31,#9,p.1719-1728

[7]JournalofMedicinalChemistry,1994,vol.37,#7,p.913-923

[8]BioorganicandMedicinalChemistryLetters,2000,vol.10,#24,p.2723-2726

[9]JournalofOrganicChemistry,2006,vol.71,#3,p.1080-1084

[10]BioorganicandMedicinalChemistryLetters,2006,vol.16,#7,p.1975-1980

[11]BioorganicandMedicinalChemistryLetters,2007,vol.17,#16,p.4689-4693

[12]MedicinalChemistryResearch,2011,vol.20,#5,p.626-636

[13]MedicinalChemistryResearch,2011,vol.20,#5,p.576-586

[14]BioorganicandMedicinalChemistryLetters,2012,vol.22,#9,p.3044-3049

[15]JournalofFluorineChemistry,2013,vol.156,p.120-123

[16]Patent:WO2017/88759,2017,A1,.Locationinpatent:Paragraph00210

[17]MedicinalChemistryResearch,2018,vol.27,#3,p.735-743

[1]TetrahedronLetters,2013,vol.54,#28,p.3669-3672

[2]JournalfuerPraktischeChemie(Leipzig),1890,vol.<2>42,p.454

[3]AmericanChemicalJournal,1899,vol.21,p.123

[1]JournalfuerPraktischeChemie(Leipzig),1890,vol.<2>42,p.454

[1]AmericanChemicalJournal,1899,vol.21,p.123

[1]Patent:WO2005/30739,2005,A1,.Locationinpatent:Page/Pagecolumn45-46

[2]UltrasonicsSonochemistry,2010,vol.17,#5,p.783-788

[3]JournalofOrganicChemistry,2010,vol.75,#6,p.2131-2133

[4]Chemistry-AEuropeanJournal,2011,vol.17,#10,p.2948-2956

[5]SyntheticCommunications,2004,vol.34,#11,p.2039-2046

[6]GreenChemistry,2017,vol.19,#17,p.4061-4066

[7]JournalofOrganicChemistry,2018,

[8]BioorganicandMedicinalChemistry,2008,vol.16,#1,p.114-125

[9]BioorganicandMedicinalChemistryLetters,2000,vol.10,#24,p.2723-2726

[10]Patent:US5364875,1994,A,

Downstream Synthesis Route

[1]ChemischeBerichte,1956,vol.89,p.1012,1014

[1]Patent:US2154334,1937,

[1]JournalofPharmaceuticalSciences,1973,vol.62,p.1390-1392

[1]IndianJournalofChemistry-SectionBOrganicandMedicinalChemistry,1979,vol.18,p.200-202

[1]JournaloftheIndianChemicalSociety,1979,vol.56,p.1230-1232

Literature

Title: Facile formation and redox of benzoxazole-2-thiolate-bridged dinuclear Pt(II/III) complexes.

Journal: Dalton transactions (Cambridge, England : 2003) 20121028

Title: Anticancer activity of hydrogen-bond-stabilized half-sandwich Ru(II) complexes with heterocycles.

Journal: Chemistry (Weinheim an der Bergstrasse, Germany) 20120924

Title: Estimation of σ- and π-donor properties of heterocyclic thioamides by spectroscopic and magnetic resonance methods.

Journal: Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20111015

Title: Design of benzimidazole- and benzoxazole-2-thione derivatives as inhibitors of bacterial hyaluronan lyase.

Journal: European journal of medicinal chemistry 20110901

Title: Ethyl 1-[2-(1,3-benzoxazol-2-ylsulfan-yl)acet-yl]-4-hy-droxy-2,6-diphenyl-1,2,5,6-tetra-hydro-pyridine-3-carboxyl-ate.

Journal: Acta crystallographica. Section E, Structure reports online 20110701

Title: In situ STM evidence for the adsorption geometry of three N-heteroaromatic thiols on Au(111).

Journal: Langmuir : the ACS journal of surfaces and colloids 20110621

Title: Dynamic 1H NMR study around the carbon-carbon single bond and partial carbon-carbon double bond in the two particular phosphorus ylides and in an enaminoester.

Journal: Magnetic resonance in chemistry : MRC 20110501

Title: Dicarbonyl-chlorido(phen-oxy-thio-carbonyl-κC,S)bis-(triphenyl-phosphane-κP)molybdenum(II).

Journal: Acta crystallographica. Section E, Structure reports online 20110101

Title: Removal of 2-mercaptobenzoxazole from water as model of odorous mercaptan compounds by a heterogenous photocatalytic process using Ag-ZnO nanocomposite coated thin film on glass plate.

Journal: Bulletin of environmental contamination and toxicology 20101201

Title: Detection of lung, breast, colorectal, and prostate cancers from exhaled breath using a single array of nanosensors.

Journal: British journal of cancer 20100810

Title: Experimental and theoretical study of the structures and enthalpies of formation of 3H-1,3-benzoxazole-2-thione, 3H-1,3-benzothiazole-2-thione, and their tautomers.

Journal: The journal of physical chemistry. A 20100603

Title: Molecular structure, IR spectra of 2-mercaptobenzothiazole and 2-mercaptobenzoxazole by density functional theory and ab initio Hartree-Fock calculations.

Journal: Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20090915

Title: 2-(1,3-Benzoxazol-2-ylsulfan-yl)-1-phenyl-ethanone.

Journal: Acta crystallographica. Section E, Structure reports online 20090901

Title: Preparation and in vitro evaluation of benzylsulfanyl benzoxazole derivatives as potential antituberculosis agents.

Journal: European journal of medicinal chemistry 20090501

Title: Synthesis, characterization, and biological studies of organotin(IV) derivatives with o- or p-hydroxybenzoic acids.

Journal: Bioinorganic chemistry and applications 20090101

Title: Simultaneous square wave voltammetric determination of 2-mercaptobenzothiazole and 2-mercaptobenzoxazole by partial least squares method in water samples.

Journal: Journal of hazardous materials 20080301

Title: Biological studies of new organotin(IV) complexes of thioamide ligands.

Journal: European journal of medicinal chemistry 20080201

Title: Crystal structure and antitumor activity of the novel zwitterionic complex of tri-n-butyltin(IV) with 2-thiobarbituric acid.

Journal: Bioinorganic chemistry and applications 20080101

Title: Comparison of the adsorption orientation for 2-mercaptobenzothiazole and 2-mercaptobenzoxazole by SERS spectroscopy.

Journal: Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20071231

Title: Highly selective and sensitive spectrophotometric determination of trace amounts of silver ion in surfactant media using 2-mercaptobenzoxazole.

Journal: Annali di chimica 20070901

Title: Synthesis, structural characterization, and biological studies of six- and five-coordinate organotin(IV) complexes with the thioamides 2-mercaptobenzothiazole, 5-chloro-2-mercaptobenzothiazole, and 2-mercaptobenzoxazole.

Journal: Inorganic chemistry 20070219

Title: Respective contributions of polar vs enthalpy effects in the addition/fragmentation of mercaptobenzoxazole-derived thiyl radicals and analogues to double bonds.

Journal: The journal of physical chemistry. A 20061019

Title: Surface-enhanced Raman scattering investigation of the adsorption of 2-mercaptobenzoxazole on smooth copper surfaces doped with silver colloidal nanoparticles.

Journal: The journal of physical chemistry. B 20060511

Title: Microsphere-based protease assays and screening application for lethal factor and factor Xa.

Journal: Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501

Title: Solid-phase synthesis of the 2-aminobenzoxazole library using thioether linkage as the safety-catch linker.

Journal: Journal of combinatorial chemistry 20060101

Title: Domino Michael addition-carbene rearrangement-cyclization reaction of 1-alkynyl(aryl)-lambda3-bromanes with 2-mercapto-1,3-benzazoles.

Journal: Chemical communications (Cambridge, England) 20051028

Title: Electroorganic synthesis of catecholthioethers.

Journal: The Journal of organic chemistry 20050916

Title: Synthesis and biological evaluation with plant cells of new fosmidomycin analogues containing a benzoxazolone or oxazolopyridinone ring.

Journal: Journal of enzyme inhibition and medicinal chemistry 20041201

Title: Heterocyclic benzazole derivatives with antimycobacterial in vitro activity.

Journal: Bioorganic & medicinal chemistry letters 20021118

Title: Biomimetic studies on iodothyronine deiodinase intermediates: modeling the reduction of selenenyl iodide by thiols.

Journal: Chembiochem : a European journal of chemical biology 20020503

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