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108831-68-1,MFCD00464832
Catalog No.:AA0033WS

108831-68-1 | 4-Chloro-5,6-dimethylthieno[2,3-d]pyrimidine

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
95%
in stock  
$70.00   $49.00
- +
5g
95%
in stock  
$211.00   $148.00
- +
25g
95%
in stock  
$809.00   $567.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA0033WS
Chemical Name:
4-Chloro-5,6-dimethylthieno[2,3-d]pyrimidine
CAS Number:
108831-68-1
Molecular Formula:
C8H7ClN2S
Molecular Weight:
198.6726
MDL Number:
MFCD00464832
SMILES:
Cc1sc2c(c1C)c(Cl)ncn2
NSC Number:
153302
Properties
Properties
 
BP:
322.8°C at 760 mmHg  
Form:
Solid  
MP:
112 °C  
Storage:
Inert atmosphere;2-8℃;  

Computed Properties
 
Complexity:
178  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
XLogP3:
3.3  

Downstream Synthesis Route
2987-53-3    108831-68-1   
(5,6-dimethyl-thieno2,3-dpyrmidin-4-yl)-(2-methylsulfanyl-phenyl)-amine 

[1]CurrentPatentAssignee:EVOTECAG-WO2007/59905,2007,A2Locationinpatent:Page/Pagecolumn44

[2]CurrentPatentAssignee:C.H.BoehringerSohnAG&Co.KG-WO2006/136402,2006,A1Locationinpatent:Page/Pagecolumn67

56-89-3    108831-68-1   
C14H18N4O4S3 

[1]Phosphorus,SulfurandSiliconandtheRelatedElements,2009,vol.184,p.3241-3257

[1]EuropeanJournalofMedicinalChemistry,2016,vol.123,p.31-47

[2]Patent:CN105218557,2016,A.Locationinpatent:Paragraph0217;0218;0219

[3]EuropeanJournalofMedicinalChemistry,2016,vol.115,p.148-160

[4]SyntheticCommunications,2011,vol.41,p.2835-2851

[5]BioorganicandMedicinalChemistryLetters,2017,vol.27,p.496-500

[6]ChemicalBiologyandDrugDesign,2017,vol.90,p.1115-1121

[7]EuropeanJournalofMedicinalChemistry,2019,vol.168,p.474-490

[1]Patent:WO2012/97013,2012,A1.Locationinpatent:Page/Pagecolumn198

[1]CurrentPatentAssignee:HUBEIUNIVERSITYFORNATIONALITIES-CN106243124,2016,ALocationinpatent:Paragraph0114-0118

Literature

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters 20101101

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SDS
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Tags:108831-68-1 Molecular Formula|108831-68-1 MDL|108831-68-1 SMILES|108831-68-1 4-Chloro-5,6-dimethylthieno[2,3-d]pyrimidine