1129-65-3,MFCD00039969
Catalog No.:AA003EIY

1129-65-3 | 1-Phenyl-1-hexyne

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
98%
in stock  
$11.00   $8.00
- +
1g
98%
in stock  
$28.00   $19.00
- +
5g
98%
in stock  
$118.00   $83.00
- +
25g
98%
in stock  
$374.00   $262.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA003EIY
Chemical Name:
1-Phenyl-1-hexyne
CAS Number:
1129-65-3
Molecular Formula:
C12H14
Molecular Weight:
158.2396
MDL Number:
MFCD00039969
SMILES:
CCCCC#Cc1ccccc1
Properties
Properties
 
BP:
230.5°C at 760 mmHg  
Form:
Liquid  
Refractive Index:
n20/D 1.5349(lit.)  
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
161  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
0  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
3  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
4.2  

Downstream Synthesis Route

[1]Truchet[AnnalesdeChimie(Cachan,France),1931,vol.<10>16,p.396][ComptesRendusHebdomadairesdesSeancesdel'AcademiedesSciences,1930,vol.191,p.855]

[1]JournaloftheAmericanChemicalSociety,1938,vol.60,p.1882

[2]BulletinoftheChemicalSocietyofJapan,1974,vol.47,p.2663-2671

[1]Lei,Ya-Ru;Liang,Jia-Ying;Wang,Yu-Jiang;Chen,Zili[TetrahedronLetters,2021,vol.70]

[2]Uemura,S.etal.[JournaloftheChemicalSociety.PerkintransactionsI,1977,p.676-680]

[1]Synlett,2014,vol.25,p.1585-1590

[2]Synlett,2015,vol.26,p.1991-1996

[3]BulletindelaSocieteChimiquedeFrance,1968,p.3387-3394

[4]OrganicLetters,2004,vol.6,p.1461-1463

[5]JournaloftheAmericanChemicalSociety,2014,vol.136,p.8887-8890

[1]JournalofOrganicChemistry,1980,vol.45,p.4926-4931

[2]SyntheticCommunications,1993,vol.23,p.2397-2404

[3]AdvancedSynthesisandCatalysis,2012,vol.354,p.1264-1268

[4]Synlett,2015,vol.26,p.318-322

[5]AngewandteChemie-InternationalEdition,2015,vol.54,p.14321-14325    Angew.Chem.,2015,vol.127,p.14529-14533,5

[6]ChemicalCommunications,2017,vol.53,p.4612-4615

Literature

Title: Antinociceptive effect of butyl (2-phenylethynyl) selenide on formalin test in mice: Evidences for the involvement of serotonergic and adenosinergic systems.

Journal: European journal of pharmacology 20101010

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Tags:1129-65-3 Molecular Formula|1129-65-3 MDL|1129-65-3 SMILES|1129-65-3 1-Phenyl-1-hexyne
Catalog No.: AA003EIY
1129-65-3,MFCD00039969
1129-65-3 | 1-Phenyl-1-hexyne
Pack Size: 250mg
Purity: 98%
in stock
$11.00 $8.00
Pack Size: 1g
Purity: 98%
in stock
$28.00 $19.00
Pack Size: 5g
Purity: 98%
in stock
$118.00 $83.00
Pack Size: 25g
Purity: 98%
in stock
$374.00 $262.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA003EIY
Chemical Name: 1-Phenyl-1-hexyne
CAS Number: 1129-65-3
Molecular Formula: C12H14
Molecular Weight: 158.2396
MDL Number: MFCD00039969
SMILES: CCCCC#Cc1ccccc1
Properties
BP: 230.5°C at 760 mmHg  
Form: Liquid  
Refractive Index: n20/D 1.5349(lit.)  
Storage: Keep in dry area;Room Temperature;  
Complexity: 161  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 12  
Hydrogen Bond Acceptor Count: 0  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 3  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 4.2  
Downstream Synthesis Route
80-44-4    1004-22-4    1129-65-3 

[1]Truchet[AnnalesdeChimie(Cachan,France),1931,vol.<10>16,p.396][ComptesRendusHebdomadairesdesSeancesdel'AcademiedesSciences,1930,vol.191,p.855]

778-28-9    1004-22-4    1129-65-3 

[1]JournaloftheAmericanChemicalSociety,1938,vol.60,p.1882

[2]BulletinoftheChemicalSocietyofJapan,1974,vol.47,p.2663-2671

1129-65-3    63318-13-8 

[1]Lei,Ya-Ru;Liang,Jia-Ying;Wang,Yu-Jiang;Chen,Zili[TetrahedronLetters,2021,vol.70]

[2]Uemura,S.etal.[JournaloftheChemicalSociety.PerkintransactionsI,1977,p.676-680]

542-69-8    536-74-3    1129-65-3 

[1]Synlett,2014,vol.25,p.1585-1590

[2]Synlett,2015,vol.26,p.1991-1996

[3]BulletindelaSocieteChimiquedeFrance,1968,p.3387-3394

[4]OrganicLetters,2004,vol.6,p.1461-1463

[5]JournaloftheAmericanChemicalSociety,2014,vol.136,p.8887-8890

1129-65-3    15325-54-9    1077-16-3 

[1]JournalofOrganicChemistry,1980,vol.45,p.4926-4931

[2]SyntheticCommunications,1993,vol.23,p.2397-2404

[3]AdvancedSynthesisandCatalysis,2012,vol.354,p.1264-1268

[4]Synlett,2015,vol.26,p.318-322

[5]AngewandteChemie-InternationalEdition,2015,vol.54,p.14321-14325    Angew.Chem.,2015,vol.127,p.14529-14533,5

[6]ChemicalCommunications,2017,vol.53,p.4612-4615

Literature fold

Title: Antinociceptive effect of butyl (2-phenylethynyl) selenide on formalin test in mice: Evidences for the involvement of serotonergic and adenosinergic systems.

Journal: European journal of pharmacology20101010

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