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Home Boronic Acids 168618-42-6
168618-42-6,MFCD01318165
Catalog No.:AA001Y4C

168618-42-6 | 2-Methylthiophenylboronic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
97%
in stock  
$7.00   $5.00
- +
5g
97%
in stock  
$17.00   $12.00
- +
10g
95%
in stock  
$22.00   $16.00
- +
25g
95%
in stock  
$51.00   $36.00
- +
100g
95%
in stock  
$196.00   $137.00
- +
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA001Y4C
Chemical Name:
2-Methylthiophenylboronic acid
CAS Number:
168618-42-6
Molecular Formula:
C7H9BO2S
Molecular Weight:
168.0212
MDL Number:
MFCD01318165
SMILES:
CSc1ccccc1B(O)O
Properties
Properties
 
BP:
327.5°C at 760 mmHg  
Form:
Solid  
MP:
77-83 °C(lit.)  
Refractive Index:
1,423-1,425  
Storage:
Inert atmosphere;2-8℃;  

Computed Properties
 
Complexity:
121  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
2  

Upstream Synthesis Route

[1]Patent:EP946508,2009,B1,.Locationinpatent:Page/Pagecolumn60

[2]Patent:EP1491187,2004,A1,.Locationinpatent:Page26

[1]Patent:US6020357,2000,A,

[2]Patent:EP946528,2003,B1,

[3]Patent:US6187797,2001,B1,

[1]Patent:US5998424,1999,A,

[2]Patent:EP1331221,2003,A1,

[1]ChemicalCommunications,2010,vol.46,#34,p.6380-6381

[1]ChemCatChem,2018,vol.10,#19,p.4253-4257

Downstream Synthesis Route
911370-10-0    168618-42-6   
4-(2-methylsulfanylphenyl)-2-(2-hydroxy-1-hydroxymethyl-ethylamino)-8-(2,6-difluoro-phenyl)-8H-pyrido2,3-dpyrimidin-7-one 

[1]CurrentPatentAssignee:GLAXOSMITHKLINEPLC-WO2006/104917,2006,A2Locationinpatent:Page/Pagecolumn72-73

[2]CurrentPatentAssignee:GLAXOSMITHKLINEPLC-WO2007/147104,2007,A2Locationinpatent:Page/Pagecolumn70

[3]Yan,Hongxing;Boehm,JeffreyC.;Jin,Qi;Kasparec,Jiri;Li,Huijie;Zhu,Chongjie;Widdowson,KatherineL.;Callahan,JamesF.;Wan,Zehong[TetrahedronLetters,2007,vol.48,#7,p.1205-1207]

911370-08-6    168618-42-6   
4-(2-methylsulfanyl-phenyl)-2-(2-hydroxy-1-hydroxymethyl-ethylamino)-8-(4-trifluoromethyl-phenyl)-8H-pyrido2,3-dpyrimidin-7-one 

[1]CurrentPatentAssignee:GLAXOSMITHKLINEPLC-WO2006/104917,2006,A2Locationinpatent:Page/Pagecolumn64

[2]CurrentPatentAssignee:GLAXOSMITHKLINEPLC-WO2007/147104,2007,A2Locationinpatent:Page/Pagecolumn62

[3]Yan,Hongxing;Boehm,JeffreyC.;Jin,Qi;Kasparec,Jiri;Li,Huijie;Zhu,Chongjie;Widdowson,KatherineL.;Callahan,JamesF.;Wan,Zehong[TetrahedronLetters,2007,vol.48,#7,p.1205-1207]

[1]BioorganicandMedicinalChemistryLetters,2007,vol.17,p.6481-6488

22190-35-8    168618-42-6   
C16H17NS 

[1]BioorganicandMedicinalChemistryLetters,2007,vol.17,p.6481-6488

168618-42-6    321436-06-0   
2,3-dihydro-7-2-(methylthio)phenyl-1,4-benzoxazin-3-one 

[1]BioorganicandMedicinalChemistryLetters,2007,vol.17,p.6481-6488

Literature
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SDS
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Tags:168618-42-6 Molecular Formula|168618-42-6 MDL|168618-42-6 SMILES|168618-42-6 2-Methylthiophenylboronic acid