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956386-38-2,MFCD11655754
Catalog No.:AA019TW2

956386-38-2 | 2-Ethynyl-1,4-difluorobenzene

Pack Size
Purity
Availability
Price(USD)
Quantity
  
50mg
95+%
2 weeks  
$88.00   $62.00
- +
100mg
95+%
2 weeks  
$120.00   $84.00
- +
250mg
95+%
2 weeks  
$172.00   $121.00
- +
500mg
95+%
2 weeks  
$301.00   $211.00
- +
1g
95+%
2 weeks  
$391.00   $274.00
- +
2.5g
95+%
2 weeks  
$912.00   $639.00
- +
5g
95+%
2 weeks  
$1,260.00   $882.00
- +
10g
95+%
2 weeks  
$2,477.00   $1,734.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA019TW2
Chemical Name:
2-Ethynyl-1,4-difluorobenzene
CAS Number:
956386-38-2
Molecular Formula:
C8H4F2
Molecular Weight:
138.1142
MDL Number:
MFCD11655754
SMILES:
C#Cc1cc(F)ccc1F
Properties
Computed Properties
 
Complexity:
156  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
1  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
2.4  

Downstream Synthesis Route

[1]CurrentPatentAssignee:ASTRAZENECAPLC-US2007/259862,2007,A1Locationinpatent:Page/Pagecolumn42

[1]CurrentPatentAssignee:MERCK&COINC-WO2009/61596,2009,A1Locationinpatent:Page/Pagecolumn315-316

[1]Locationinpatent:experimentalpartPatpi,SanthoshReddy;Pulipati,Lokesh;Yogeeswari,Perumal;Sriram,Dharmarajan;Jain,Nishant;Sridhar,Balasubramanian;Murthy,Ramalinga;AnjanaDevi;Kalivendi,ShasiVardhan;Kantevari,Srinivas[JournalofMedicinalChemistry,2012,vol.55,#8,p.3911-3922]

956386-38-2   
(6S)-3-(2,6-difluoro-4-iodo-phenyl)-1,6-dimethyl-6-(1-methylpyrazol-4-yl)hexahydropyrimidine-2,4-dione 
 
(6S)-3-4-2-(2,5-difluorophenyl)ethynyl-2,6-difluoro-phenyl-1,6-dimethyl-6-(1-methylpyrazol-4-yl)hexahydropyrimidine-2,4-dione 

[1]CurrentPatentAssignee:ROCHEHOLDINGAG-WO2016/146600,2016,A1Locationinpatent:Page/Pagecolumn31;32;61;62

956386-38-2   
(6S)-3-(2,6-difluoro-4-iodo-phenyl)-1,6-dimethyl-6-(1-methylpyrazol-4-yl)hexahydropyrimidine-2,4-dione 
 
(6S)-3-2,6-difluoro-4-2-(4-fluorophenyl)ethynylphenyl-1,6-dimethyl-6-(1-methylpyrazol-4-yl)hexahydropyrimidine-2,4-dione 

[1]CurrentPatentAssignee:ROCHEHOLDINGAG-WO2016/146600,2016,A1Locationinpatent:Page/Pagecolumn31;32;62

Literature
Quotation Request
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SDS
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Tags:956386-38-2 Molecular Formula|956386-38-2 MDL|956386-38-2 SMILES|956386-38-2 2-Ethynyl-1,4-difluorobenzene
Catalog No.: AA019TW2
956386-38-2,MFCD11655754
956386-38-2 | 2-Ethynyl-1,4-difluorobenzene
Pack Size： 50mg
Purity： 95+%
2 weeks
$88.00 $62.00
Pack Size： 100mg
Purity： 95+%
2 weeks
$120.00 $84.00
Pack Size： 250mg
Purity： 95+%
2 weeks
$172.00 $121.00
Pack Size： 500mg
Purity： 95+%
2 weeks
$301.00 $211.00
Pack Size： 1g
Purity： 95+%
2 weeks
$391.00 $274.00
Pack Size： 2.5g
Purity： 95+%
2 weeks
$912.00 $639.00
Pack Size： 5g
Purity： 95+%
2 weeks
$1,260.00 $882.00
Pack Size： 10g
Purity： 95+%
2 weeks
$2,477.00 $1,734.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA019TW2
Chemical Name: 2-Ethynyl-1,4-difluorobenzene
CAS Number: 956386-38-2
Molecular Formula: C8H4F2
Molecular Weight: 138.1142
MDL Number: MFCD11655754
SMILES: C#Cc1cc(F)ccc1F
Properties
Complexity: 156  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 10  
Hydrogen Bond Acceptor Count: 2  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 1  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 2.4  
Downstream Synthesis Route
956386-34-8    956386-38-2 

[1]CurrentPatentAssignee:ASTRAZENECAPLC-US2007/259862,2007,A1Locationinpatent:Page/Pagecolumn42

956386-38-2    65534-93-2    1152046-73-5 

[1]CurrentPatentAssignee:MERCK&COINC-WO2009/61596,2009,A1Locationinpatent:Page/Pagecolumn315-316

956386-38-2    1372602-78-2    1372603-14-9 

[1]Locationinpatent:experimentalpartPatpi,SanthoshReddy;Pulipati,Lokesh;Yogeeswari,Perumal;Sriram,Dharmarajan;Jain,Nishant;Sridhar,Balasubramanian;Murthy,Ramalinga;AnjanaDevi;Kalivendi,ShasiVardhan;Kantevari,Srinivas[JournalofMedicinalChemistry,2012,vol.55,#8,p.3911-3922]

956386-38-2   
(6S)-3-(2,6-difluoro-4-iodo-phenyl)-1,6-dimethyl-6-(1-methylpyrazol-4-yl)hexahydropyrimidine-2,4-dione 
 
(6S)-3-4-2-(2,5-difluorophenyl)ethynyl-2,6-difluoro-phenyl-1,6-dimethyl-6-(1-methylpyrazol-4-yl)hexahydropyrimidine-2,4-dione 

[1]CurrentPatentAssignee:ROCHEHOLDINGAG-WO2016/146600,2016,A1Locationinpatent:Page/Pagecolumn31;32;61;62

956386-38-2   
(6S)-3-(2,6-difluoro-4-iodo-phenyl)-1,6-dimethyl-6-(1-methylpyrazol-4-yl)hexahydropyrimidine-2,4-dione 
 
(6S)-3-2,6-difluoro-4-2-(4-fluorophenyl)ethynylphenyl-1,6-dimethyl-6-(1-methylpyrazol-4-yl)hexahydropyrimidine-2,4-dione 

[1]CurrentPatentAssignee:ROCHEHOLDINGAG-WO2016/146600,2016,A1Locationinpatent:Page/Pagecolumn31;32;62

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