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218624-29-4,MFCD19688077
Catalog No.:AA01A4XS

218624-29-4 | Ethyl 2-(tetrahydro-2H-thiopyran-4-yl)acetate

Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
97%
in stock  
$132.00   $93.00
- +
250mg
97%
in stock  
$223.00   $156.00
- +
1g
97%
in stock  
$601.00   $421.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA01A4XS
Chemical Name:
Ethyl 2-(tetrahydro-2H-thiopyran-4-yl)acetate
CAS Number:
218624-29-4
Molecular Formula:
C9H16O2S
Molecular Weight:
188.2871
MDL Number:
MFCD19688077
SMILES:
CCOC(=O)CC1CCSCC1
Properties
Computed Properties
 
Complexity:
142  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
4  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
1.8  

Downstream Synthesis Route

[1]CurrentPatentAssignee:GLAXOSMITHKLINEPLC-WO2015/157483,2015,A1Locationinpatent:Page/Pagecolumn85;86

[2]Prelog;Kohlbach[ChemischeBerichte,1939,vol.72,p.672,674]

[1]Prelog;Kohlbach[ChemischeBerichte,1939,vol.72,p.672,674]

5-bromo-3-(2-bromo-ethyl)-valericacidethylester 
  218624-29-4 

[1]Prelog;Kohlbach[ChemischeBerichte,1939,vol.72,p.672,674]

[1]Venkatesan,AranapakamM.;Davis,JamieM.;Grosu,GeorgeT.;Baker,Jannie;Zask,Arie;Levin,JeremyI.;Ellingboe,John;Skotnicki,JerauldS.;DiJoseph,JohnF.;Sung,Amy;Jin,Guixian;Xu,Weixin;McCarthy,DianeJoseph;Barone,Dauphine[JournalofMedicinalChemistry,2004,vol.47,#25,p.6255-6269]

[2]CurrentPatentAssignee:PFIZERINC-US6340691,2002,B1Locationinpatent:Pagecolumn67

[1]Venkatesan,AranapakamM.;Davis,JamieM.;Grosu,GeorgeT.;Baker,Jannie;Zask,Arie;Levin,JeremyI.;Ellingboe,John;Skotnicki,JerauldS.;DiJoseph,JohnF.;Sung,Amy;Jin,Guixian;Xu,Weixin;McCarthy,DianeJoseph;Barone,Dauphine[JournalofMedicinalChemistry,2004,vol.47,#25,p.6255-6269]

[2]CurrentPatentAssignee:PFIZERINC-US6340691,2002,B1Locationinpatent:Pagecolumn67

[3]CurrentPatentAssignee:PFIZERINC-EP1147080,2004,B1Locationinpatent:Page49-50

[4]Bamborough,Paul;Chung,Chun-Wa;Furze,RebeccaC.;Grandi,Paola;Michon,Anne-Marie;Watson,RobertJ.;Mitchell,DarrenJ.;Barnett,Heather;Prinjha,RabK.;Rau,Christina;Sheppard,RobertJ.;Werner,Thilo;Demont,EmmanuelH.[JournalofMedicinalChemistry,2018,vol.61,#18,p.8321-8336]

[5]CurrentPatentAssignee:MERCK&COINC-EP1019398,2004,B1Locationinpatent:Page44

[6]CurrentPatentAssignee:GLAXOSMITHKLINEPLC-WO2015/157483,2015,A1Locationinpatent:Page/Pagecolumn85

Literature
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SDS
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Tags:218624-29-4 Molecular Formula|218624-29-4 MDL|218624-29-4 SMILES|218624-29-4 Ethyl 2-(tetrahydro-2H-thiopyran-4-yl)acetate
Catalog No.: AA01A4XS
218624-29-4,MFCD19688077
218624-29-4 | Ethyl 2-(tetrahydro-2H-thiopyran-4-yl)acetate
Pack Size： 100mg
Purity： 97%
in stock
$132.00 $93.00
Pack Size： 250mg
Purity： 97%
in stock
$223.00 $156.00
Pack Size： 1g
Purity： 97%
in stock
$601.00 $421.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA01A4XS
Chemical Name: Ethyl 2-(tetrahydro-2H-thiopyran-4-yl)acetate
CAS Number: 218624-29-4
Molecular Formula: C9H16O2S
Molecular Weight: 188.2871
MDL Number: MFCD19688077
SMILES: CCOC(=O)CC1CCSCC1
Properties
Complexity: 142  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 12  
Hydrogen Bond Acceptor Count: 3  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 4  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 1.8  
Downstream Synthesis Route
218624-29-4    123095-08-9 

[1]CurrentPatentAssignee:GLAXOSMITHKLINEPLC-WO2015/157483,2015,A1Locationinpatent:Page/Pagecolumn85;86

[2]Prelog;Kohlbach[ChemischeBerichte,1939,vol.72,p.672,674]

218624-29-4    137103-09-4 

[1]Prelog;Kohlbach[ChemischeBerichte,1939,vol.72,p.672,674]

5-bromo-3-(2-bromo-ethyl)-valericacidethylester 
  218624-29-4 

[1]Prelog;Kohlbach[ChemischeBerichte,1939,vol.72,p.672,674]

218624-29-4    287202-47-5    287393-56-0 

[1]Venkatesan,AranapakamM.;Davis,JamieM.;Grosu,GeorgeT.;Baker,Jannie;Zask,Arie;Levin,JeremyI.;Ellingboe,John;Skotnicki,JerauldS.;DiJoseph,JohnF.;Sung,Amy;Jin,Guixian;Xu,Weixin;McCarthy,DianeJoseph;Barone,Dauphine[JournalofMedicinalChemistry,2004,vol.47,#25,p.6255-6269]

[2]CurrentPatentAssignee:PFIZERINC-US6340691,2002,B1Locationinpatent:Pagecolumn67

56700-45-9    218624-29-4 

[1]Venkatesan,AranapakamM.;Davis,JamieM.;Grosu,GeorgeT.;Baker,Jannie;Zask,Arie;Levin,JeremyI.;Ellingboe,John;Skotnicki,JerauldS.;DiJoseph,JohnF.;Sung,Amy;Jin,Guixian;Xu,Weixin;McCarthy,DianeJoseph;Barone,Dauphine[JournalofMedicinalChemistry,2004,vol.47,#25,p.6255-6269]

[2]CurrentPatentAssignee:PFIZERINC-US6340691,2002,B1Locationinpatent:Pagecolumn67

[3]CurrentPatentAssignee:PFIZERINC-EP1147080,2004,B1Locationinpatent:Page49-50

[4]Bamborough,Paul;Chung,Chun-Wa;Furze,RebeccaC.;Grandi,Paola;Michon,Anne-Marie;Watson,RobertJ.;Mitchell,DarrenJ.;Barnett,Heather;Prinjha,RabK.;Rau,Christina;Sheppard,RobertJ.;Werner,Thilo;Demont,EmmanuelH.[JournalofMedicinalChemistry,2018,vol.61,#18,p.8321-8336]

[5]CurrentPatentAssignee:MERCK&COINC-EP1019398,2004,B1Locationinpatent:Page44

[6]CurrentPatentAssignee:GLAXOSMITHKLINEPLC-WO2015/157483,2015,A1Locationinpatent:Page/Pagecolumn85

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