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39209-94-4,MFCD08691218
Catalog No.:AA00CT8T

39209-94-4 | 4,5-Dichloro-1H-pyrrole-2-carboxylic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
95%
in stock  
$89.00   $62.00
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00CT8T
Chemical Name:
4,5-Dichloro-1H-pyrrole-2-carboxylic acid
CAS Number:
39209-94-4
Molecular Formula:
C5H3Cl2NO2
Molecular Weight:
179.9888
MDL Number:
MFCD08691218
SMILES:
Clc1[nH]c(cc1Cl)C(=O)O
Properties
Properties
 
BP:
386.143°C at 760 mmHg  
Form:
Solid  
Storage:
Inert atmosphere;2-8℃;  

Computed Properties
 
Complexity:
153  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
1  
XLogP3:
2.2  

Downstream Synthesis Route

[1]CurrentPatentAssignee:ISTITUTODIRICERCHEDIBIOLOGIAMOLECOLAREP.ANGELETTIS.R.L.-WO2007/138355,2007,A1Locationinpatent:Page/Pagecolumn90

[1]Kikuchi,Haruhisa;Sekiya,Mizuki;Katou,Yasuhiro;Ueda,Kazunori;Kabeya,Takahiro;Kurata,Shoichiro;Oshima,Oshiteru[OrganicLetters,2009,vol.11,#8,p.1693-1695]

[2]Yi,Dongqi;Acharya,Atanu;Gumbart,JamesC.;Gutekunst,WillR.;Agarwal,Vinayak[JournaloftheAmericanChemicalSociety,2021,vol.143,#20,p.7617-7622]

[3]Locationinpatent:experimentalpartWang,Ming-Zhong;Xu,Han;Liu,Tuan-Wei;Feng,Qi;Yu,Shu-Jing;Wang,Su-Hua;Li,Zheng-Ming[EuropeanJournalofMedicinalChemistry,2011,vol.46,#5,p.1463-1472]

[1]Locationinpatent:experimentalpartClark,BenjaminR.;O'Connor,Stephen;Fox,Deirdre;Leroy,Jacques;Murphy,CormacD.[OrganicandBiomolecularChemistry,2011,vol.9,#18,p.6306-6311]

[1]OrganicLetters,2017,vol.19,p.2774-2776

Literature

Title: Virtual fragment screening for novel inhibitors of 6-phosphogluconate dehydrogenase.

Journal: Bioorganic & medicinal chemistry 20100715

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SDS
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