1823-14-9,MFCD00039813
Catalog No.:AA0023IV

1823-14-9 | 5-Phenyl-1-pentyne

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
97%
in stock  
$91.00   $64.00
- +
5g
97%
in stock  
$250.00   $175.00
- +
25g
97%
in stock  
$885.00 $619.00
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA0023IV
Chemical Name:
5-Phenyl-1-pentyne
CAS Number:
1823-14-9
Molecular Formula:
C11H12
Molecular Weight:
144.2130
MDL Number:
MFCD00039813
SMILES:
CCCC#Cc1ccccc1
NSC Number:
102794
Properties
Properties
 
BP:
331.6°C at 760 mmHg  
Form:
Liquid  
MP:
103-106 °C(Solv: chloroform (67-66-3); hexane (110-54-3))  
Refractive Index:
1.5165  
Storage:
Keep in dry area;2-8℃;  

Computed Properties
 
Complexity:
131  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
11  
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:
3.8  

Synonyms
 
  
Downstream Synthesis Route
1823-14-9    135643-82-2   
7-phenyl-1-(tetrahydro-pyran-2-yloxy)-hept-3-yn-2-one 

[1]JournalofOrganicChemistry,2002,vol.67,p.95-98

1823-14-9    630-19-3   
2,2-dimethyl-8-phenyl-4-octyn-3-ol 

[1]Higashino,Masato;Ikeda,Naoko;Shinada,Tetsuro;Sakaguchi,Kazuhiko;Ohfune,Yasufumi[TetrahedronLetters,2011,vol.52,#3,p.422-425]

[2]Dieter,R.Karl;Chen,Ningyi;Gore,VinayakK.[JournalofOrganicChemistry,2006,vol.71,#23,p.8755-8760]

1823-14-9    162363-46-4   
C23H26N2O2 

[1]Kitano,Yasunori;Suzuki,Tsuyoshi;Kawahara,Eiji;Yamazaki,Takahisa[BioorganicandMedicinalChemistryLetters,2007,vol.17,#21,p.5863-5867]

1823-14-9    70557-99-2   
C18H25BO2 

[1]OrganicLetters,2009,vol.11,p.5458-5461

[2]OrganicLetters,2010,vol.12,p.88-91

[1]EuropeanJournalofOrganicChemistry,2010,p.2330-2336

Literature

Title: Detection of phenolic metabolites of styrene in mouse liver and lung microsomal incubations.

Journal: Drug metabolism and disposition: the biological fate of chemicals 20101101

Title: In vitro metabolism and covalent binding of ethylbenzene to microsomal protein as a possible mechanism of ethylbenzene-induced mouse lung tumorigenesis.

Journal: Regulatory toxicology and pharmacology : RTP 20100101

Title: Upper respiratory tract uptake of naphthalene.

Journal: Toxicological sciences : an official journal of the Society of Toxicology 20091001

Title: Naphthalene toxicity in mice and aryl hydrocarbon receptor-mediated CYPs.

Journal: Biochemical and biophysical research communications 20060915

Title: Cytochrome p450 enzymes mechanism based inhibitors: common sub-structures and reactivity.

Journal: Current drug metabolism 20051001

Title: Conformation-specific spectroscopy of 4-phenyl-1-butyne and 5-phenyl-1-pentyne.

Journal: The journal of physical chemistry. A 20050929

Title: Conformation-specific spectroscopy of 3-benzyl-1,5-hexadiyne.

Journal: The journal of physical chemistry. A 20050929

Title: Bioactivation of 1,1-dichloroethylene by CYP2E1 and CYP2F2 in murine lung.

Journal: The Journal of pharmacology and experimental therapeutics 20040901

Title: Influence of selected inhibitors on the metabolism of the styrene metabolite 4-vinylphenol in wild-type and CYP2E1 knockout mice.

Journal: Journal of toxicology and environmental health. Part A 20040625

Title: Benzene metabolism in human lung cell lines BEAS-2B and A549 and cells overexpressing CYP2F1.

Journal: Journal of biochemical and molecular toxicology 20040101

Title: Synthesis of annulated gamma-carbolines and heteropolycycles by the palladium-catalyzed intramolecular annulation of alkynes.

Journal: The Journal of organic chemistry 20030627

Title: Effect of the inhibition of the metabolism of 4-vinylphenol on its hepatotoxicity and pneumotoxicity in rats and mice.

Journal: Toxicology 20020930

Title: Styrene respiratory tract toxicity and mouse lung tumors are mediated by CYP2F-generated metabolites.

Journal: Regulatory toxicology and pharmacology : RTP 20020601

Title: Identification of the cytochromes P450 that catalyze coumarin 3,4-epoxidation and 3-hydroxylation.

Journal: Drug metabolism and disposition: the biological fate of chemicals 20020501

Title: The role of cytochromes P-450 in styrene induced pulmonary toxicity and carcinogenicity.

Journal: Toxicology 20011214

Title: The toxicity of styrene to the nasal epithelium of mice and rats: studies on the mode of action and relevance to humans.

Journal: Chemico-biological interactions 20010831

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Related Products of 1823-14-9
Tags:1823-14-9 Molecular Formula|1823-14-9 MDL|1823-14-9 SMILES|1823-14-9 5-Phenyl-1-pentyne
Catalog No.: AA0023IV
1823-14-9,MFCD00039813
1823-14-9 | 5-Phenyl-1-pentyne
Pack Size: 1g
Purity: 97%
in stock
$91.00 $64.00
Pack Size: 5g
Purity: 97%
in stock
$250.00 $175.00
Pack Size: 25g
Purity: 97%
in stock
$885.00 $619.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA0023IV
Chemical Name: 5-Phenyl-1-pentyne
CAS Number: 1823-14-9
Molecular Formula: C11H12
Molecular Weight: 144.2130
MDL Number: MFCD00039813
SMILES: CCCC#Cc1ccccc1
NSC Number: 102794
Properties
BP: 331.6°C at 760 mmHg  
Form: Liquid  
MP: 103-106 °C(Solv: chloroform (67-66-3); hexane (110-54-3))  
Refractive Index: 1.5165  
Storage: Keep in dry area;2-8℃;  
Complexity: 131  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 11  
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: 3.8  
48:   
Downstream Synthesis Route
1823-14-9    135643-82-2   
7-phenyl-1-(tetrahydro-pyran-2-yloxy)-hept-3-yn-2-one 

[1]JournalofOrganicChemistry,2002,vol.67,p.95-98

1823-14-9    630-19-3   
2,2-dimethyl-8-phenyl-4-octyn-3-ol 

[1]Higashino,Masato;Ikeda,Naoko;Shinada,Tetsuro;Sakaguchi,Kazuhiko;Ohfune,Yasufumi[TetrahedronLetters,2011,vol.52,#3,p.422-425]

[2]Dieter,R.Karl;Chen,Ningyi;Gore,VinayakK.[JournalofOrganicChemistry,2006,vol.71,#23,p.8755-8760]

1823-14-9    162363-46-4   
C23H26N2O2 

[1]Kitano,Yasunori;Suzuki,Tsuyoshi;Kawahara,Eiji;Yamazaki,Takahisa[BioorganicandMedicinalChemistryLetters,2007,vol.17,#21,p.5863-5867]

1823-14-9    70557-99-2   
C18H25BO2 

[1]OrganicLetters,2009,vol.11,p.5458-5461

[2]OrganicLetters,2010,vol.12,p.88-91

21702-84-1    1823-14-9    1228274-21-2 

[1]EuropeanJournalofOrganicChemistry,2010,p.2330-2336

Literature fold

Title: Detection of phenolic metabolites of styrene in mouse liver and lung microsomal incubations.

Journal: Drug metabolism and disposition: the biological fate of chemicals20101101

Title: In vitro metabolism and covalent binding of ethylbenzene to microsomal protein as a possible mechanism of ethylbenzene-induced mouse lung tumorigenesis.

Journal: Regulatory toxicology and pharmacology : RTP20100101

Title: Upper respiratory tract uptake of naphthalene.

Journal: Toxicological sciences : an official journal of the Society of Toxicology20091001

Title: Naphthalene toxicity in mice and aryl hydrocarbon receptor-mediated CYPs.

Journal: Biochemical and biophysical research communications20060915

Title: Cytochrome p450 enzymes mechanism based inhibitors: common sub-structures and reactivity.

Journal: Current drug metabolism20051001

Title: Conformation-specific spectroscopy of 4-phenyl-1-butyne and 5-phenyl-1-pentyne.

Journal: The journal of physical chemistry. A20050929

Title: Conformation-specific spectroscopy of 3-benzyl-1,5-hexadiyne.

Journal: The journal of physical chemistry. A20050929

Title: Bioactivation of 1,1-dichloroethylene by CYP2E1 and CYP2F2 in murine lung.

Journal: The Journal of pharmacology and experimental therapeutics20040901

Title: Influence of selected inhibitors on the metabolism of the styrene metabolite 4-vinylphenol in wild-type and CYP2E1 knockout mice.

Journal: Journal of toxicology and environmental health. Part A20040625

Title: Benzene metabolism in human lung cell lines BEAS-2B and A549 and cells overexpressing CYP2F1.

Journal: Journal of biochemical and molecular toxicology20040101

Title: Synthesis of annulated gamma-carbolines and heteropolycycles by the palladium-catalyzed intramolecular annulation of alkynes.

Journal: The Journal of organic chemistry20030627

Title: Effect of the inhibition of the metabolism of 4-vinylphenol on its hepatotoxicity and pneumotoxicity in rats and mice.

Journal: Toxicology20020930

Title: Styrene respiratory tract toxicity and mouse lung tumors are mediated by CYP2F-generated metabolites.

Journal: Regulatory toxicology and pharmacology : RTP20020601

Title: Identification of the cytochromes P450 that catalyze coumarin 3,4-epoxidation and 3-hydroxylation.

Journal: Drug metabolism and disposition: the biological fate of chemicals20020501

Title: The role of cytochromes P-450 in styrene induced pulmonary toxicity and carcinogenicity.

Journal: Toxicology20011214

Title: The toxicity of styrene to the nasal epithelium of mice and rats: studies on the mode of action and relevance to humans.

Journal: Chemico-biological interactions20010831

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