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766-82-5,MFCD01318174
Catalog No.:AA005VYS

766-82-5 | 1-Ethynyl-3-methylbenzene

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
97%
in stock  
$31.00   $22.00
- +
5g
97%
in stock  
$55.00   $39.00
- +
10g
97%
in stock  
$66.00   $47.00
- +
  • 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:
AA005VYS
Chemical Name:
1-Ethynyl-3-methylbenzene
CAS Number:
766-82-5
Molecular Formula:
C9H8
Molecular Weight:
116.1598
MDL Number:
MFCD01318174
SMILES:
C#Cc1cccc(c1)C
Properties
Properties
 
BP:
170-175°C at 760 mmHg  
Form:
Liquid  
Refractive Index:
n20/D 1.5440(lit.)  
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
126  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
9  
Rotatable Bond Count:
1  
XLogP3:
3.1  

Upstream Synthesis Route

[1]GreenChemistry,2017,vol.19,#8,p.1983-1989

[2]JournalofOrganicChemistry,2013,vol.78,#18,p.9190-9195

[3]Tetrahedron,2016,vol.72,#29,p.4151-4158

[1]JournalofChemicalResearch,2007,#12,p.728-732

[2]Patent:CN107459438,2017,A,.Locationinpatent:Paragraph0054;0055

[3]OrganicLetters,2014,vol.16,#3,p.948-951

[4]TetrahedronLetters,1972,vol.13,#51,p.5209-5212

[5]Organicletters,2001,vol.3,#2,p.153-155

[6]Organicandbiomolecularchemistry,2003,vol.1,#3,p.498-506

[7]Synthesis(Germany),2014,vol.46,#24,p.3415-3422

[8]OrganicLetters,2014,vol.16,#24,p.6302-6305

[9]Chemistry-AEuropeanJournal,2015,vol.21,#4,p.1463-1467

[10]OrganicLetters,2015,vol.17,#10,p.2522-2525

[11]OrganicandBiomolecularChemistry,2015,vol.13,#35,p.9186-9189

[12]EuropeanJournalofOrganicChemistry,2016,vol.2016,#18,p.3056-3059

[13]PhotochemicalandPhotobiologicalSciences,2017,vol.16,#10,p.1495-1501

[1]Patent:WO2012/45018,2012,A1,.Locationinpatent:Page/Pagecolumn52

[1]Patent:US2002/169200,2002,A1,

[2]BulletinoftheAcademyofSciencesoftheUSSR,DivisionofChemicalScience(EnglishTranslation),1967,p.460-461

[3]IzvestiyaAkademiiNaukSSSR,SeriyaKhimicheskaya,1967,#2,p.466-467

[4]JournalofOrganicChemistry,1977,vol.42,#15,p.2626-2629

[5]OrganicLetters,2014,vol.16,#3,p.948-951

[6]Synthesis(Germany),2014,vol.46,#24,p.3415-3422

[7]Chemistry-AEuropeanJournal,2015,vol.21,#4,p.1463-1467

[8]OrganicLetters,2015,vol.17,#10,p.2522-2525

[9]OrganicandBiomolecularChemistry,2015,vol.13,#35,p.9186-9189

[10]PhotochemicalandPhotobiologicalSciences,2017,vol.16,#10,p.1495-1501

[1]OrganicLetters,2015,vol.17,#1,p.30-33

Downstream Synthesis Route

[1]Patent:WO2008/115552,2008,A1.Locationinpatent:Page/Pagecolumn56-57

[1]Patent:US2009/48320,2009,A1.Locationinpatent:Page/Pagecolumn63;81

[1]JournalofMedicinalChemistry,2009,vol.52,p.4103-4106

[1]JournalofMedicinalChemistry,2009,vol.52,p.4103-4106

[1]JournalofMedicinalChemistry,2009,vol.52,p.4103-4106

Literature

Title: Internal rotation of methyl group in electronically excited o- and m-ethynyltoluene: new correlation between the Hammett substituent constant σm and rotational barrier change.

Journal: The Journal of chemical physics 20110227

Title: Spectroscopic properties of orthometalated platinum(II) bipyridine complexes containing various ethynylaryl groups.

Journal: Chemistry (Weinheim an der Bergstrasse, Germany) 20080101

Title: Ruthenium-terpyridine complexes with multiple ethynylpyrenyl or ethynyltoluyl subunits: X-ray structure, redox, and spectroscopic properties.

Journal: Inorganic chemistry 20070903

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