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88319-37-3,MFCD30475394
Catalog No.:AA0048DY

88319-37-3 | 2-Pentenoic acid, 2-cyano-4,4-dimethyl-

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
97%
in stock  
$233.00   $163.00
- +
1g
97%
in stock  
$625.00   $437.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA0048DY
Chemical Name:
2-Pentenoic acid, 2-cyano-4,4-dimethyl-
CAS Number:
88319-37-3
Molecular Formula:
C8H11NO2
Molecular Weight:
153.1784
MDL Number:
MFCD30475394
SMILES:
N#CC(=CC(C)(C)C)C(=O)O
Properties
Properties
 
BP:
287.4±23.0 °C(Predicted)  
Form:
Solid  
MP:
123.5-125 °C (decomp)  
Storage:
Room Temperature;  

Computed Properties
 
Complexity:
237  
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:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
2  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
1  
XLogP3:
1.8  

Downstream Synthesis Route

[1]Che,Jinxin;Dong,Xiaowu;Du,Jiaming;Gao,Jian;He,Qiaojun;Lu,Yang;Luo,Mengxin;Luo,Peihua;Nie,Wenwen;Pan,Chenghao;Wang,Jiao;Zhu,Hong[BioorganicChemistry,2022,vol.121]

[2]Che,Jinxin;Dong,Xiaowu;Du,Jiaming;Gao,Jian;He,Qiaojun;Lu,Yang;Luo,Mengxin;Luo,Peihua;Nie,Wenwen;Pan,Chenghao;Wang,Jiao;Zhu,Hong[BioorganicChemistry,2022,vol.121]

[3]CurrentPatentAssignee:SANOFI-WO2018/136401,2018,A1Locationinpatent:Paragraph0237

[4]CurrentPatentAssignee:SANOFI-WO2012/158810,2012,A1Locationinpatent:Page/Pagecolumn108;109

[5]CurrentPatentAssignee:SANOFI-US2014/142099,2014,A1Locationinpatent:Paragraph0182-0183

[1]CurrentPatentAssignee:SANOFI-WO2012/158810,2012,A1Locationinpatent:Page/Pagecolumn109

[1]CurrentPatentAssignee:SANOFI-WO2012/158810,2012,A1Locationinpatent:Page/Pagecolumn109

[1]CurrentPatentAssignee:SANOFI-WO2014/36016,2014,A1Locationinpatent:Page/Pagecolumn189

Literature
Quotation Request
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SDS
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Tags:88319-37-3 Molecular Formula|88319-37-3 MDL|88319-37-3 SMILES|88319-37-3 2-Pentenoic acid, 2-cyano-4,4-dimethyl-
Catalog No.: AA0048DY
88319-37-3,MFCD30475394
88319-37-3 | 2-Pentenoic acid, 2-cyano-4,4-dimethyl-
Pack Size： 250mg
Purity： 97%
in stock
$233.00 $163.00
Pack Size： 1g
Purity： 97%
in stock
$625.00 $437.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA0048DY
Chemical Name: 2-Pentenoic acid, 2-cyano-4,4-dimethyl-
CAS Number: 88319-37-3
Molecular Formula: C8H11NO2
Molecular Weight: 153.1784
MDL Number: MFCD30475394
SMILES: N#CC(=CC(C)(C)C)C(=O)O
Properties
BP: 287.4±23.0 °C(Predicted)  
Form: Solid  
MP: 123.5-125 °C (decomp)  
Storage: Room Temperature;  
Complexity: 237  
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: 3  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 2  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 1  
XLogP3: 1.8  
Downstream Synthesis Route
630-19-3    372-09-8    88319-37-3 

[1]Che,Jinxin;Dong,Xiaowu;Du,Jiaming;Gao,Jian;He,Qiaojun;Lu,Yang;Luo,Mengxin;Luo,Peihua;Nie,Wenwen;Pan,Chenghao;Wang,Jiao;Zhu,Hong[BioorganicChemistry,2022,vol.121]

[2]Che,Jinxin;Dong,Xiaowu;Du,Jiaming;Gao,Jian;He,Qiaojun;Lu,Yang;Luo,Mengxin;Luo,Peihua;Nie,Wenwen;Pan,Chenghao;Wang,Jiao;Zhu,Hong[BioorganicChemistry,2022,vol.121]

[3]CurrentPatentAssignee:SANOFI-WO2018/136401,2018,A1Locationinpatent:Paragraph0237

[4]CurrentPatentAssignee:SANOFI-WO2012/158810,2012,A1Locationinpatent:Page/Pagecolumn108;109

[5]CurrentPatentAssignee:SANOFI-US2014/142099,2014,A1Locationinpatent:Paragraph0182-0183

88319-37-3    1413943-74-4    1413943-75-5 

[1]CurrentPatentAssignee:SANOFI-WO2012/158810,2012,A1Locationinpatent:Page/Pagecolumn109

88319-37-3    1413943-76-6 

[1]CurrentPatentAssignee:SANOFI-WO2012/158810,2012,A1Locationinpatent:Page/Pagecolumn109

88319-37-3    1575820-39-1    1575818-23-3 

[1]CurrentPatentAssignee:SANOFI-WO2014/36016,2014,A1Locationinpatent:Page/Pagecolumn189

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