Home Other Building Blocks 13669-10-8
13669-10-8,MFCD00542649
Catalog No.:AA00125G

13669-10-8 | 3-Oxo-3-thiophen-2-yl-propionic acid ethyl ester

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250mg
97%
in stock  
$6.00   $4.00
- +
1g
97%
in stock  
$12.00   $8.00
- +
5g
97%
in stock  
$34.00   $24.00
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10g
97%
in stock  
$42.00   $29.00
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100g
95%
in stock  
$351.00   $246.00
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  • 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:
AA00125G
Chemical Name:
3-Oxo-3-thiophen-2-yl-propionic acid ethyl ester
CAS Number:
13669-10-8
Molecular Formula:
C9H10O3S
Molecular Weight:
198.2389
MDL Number:
MFCD00542649
SMILES:
CCOC(=O)CC(=O)c1cccs1
NSC Number:
80416
Properties
Computed Properties
 
Complexity:
203  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Rotatable Bond Count:
5  
XLogP3:
2  

Upstream Synthesis Route

[1]Patent:WO2004/24708,2004,A2,.Locationinpatent:Page18-19

[2]Patent:WO2009/158380,2009,A1,.Locationinpatent:Page/Pagecolumn57

[3]JournalofMedicinalChemistry,2005,vol.48,#9,p.3417-3427

[4]JournalofMedicinalChemistry,2006,vol.49,#6,p.1910-1915

[5]BioorganicChemistry,2016,vol.65,p.82-89

[6]Patent:EP1486493,2004,A1,.Locationinpatent:Page22

[7]Patent:EP1486493,2004,A1,.Locationinpatent:Page22-23

[8]Patent:WO2018/183587,2018,A1,.Locationinpatent:Paragraph0097-0099

[9]ChemicalCommunications,2016,vol.52,#46,p.7336-7339

[10]Patent:EP1486493,2004,A1,.Locationinpatent:Page21-22

[11]JournalofMedicinalChemistry,2009,vol.52,#19,p.5872-5879

[12]Patent:WO2011/11277,2011,A1,.Locationinpatent:Page/Pagecolumn70

[13]Patent:WO2013/131931,2013,A1,.Locationinpatent:Page/Pagecolumn38

[14]JournalofMedicinalChemistry,1999,vol.42,#20,p.4081-4087

[15]Chemistry-AEuropeanJournal,2008,vol.14,#27,p.8082-8085

[16]AngewandteChemie-InternationalEdition,2011,vol.50,#32,p.7304-7307

[17]JournaloftheAmericanChemicalSociety,2011,vol.133,#35,p.13942-13945

[18]DyesandPigments,2013,vol.98,#3,p.530-539

[19]JournaloftheAmericanChemicalSociety,2014,vol.136,#16,p.6011-6020

[20]EuropeanJournalofOrganicChemistry,2015,vol.2015,#17,p.3656-3660

[21]AdvancedSynthesisandCatalysis,2015,vol.357,#14-15,p.3076-3080

[22]OrganicandBiomolecularChemistry,2018,vol.16,#25,p.4683-4687

[23]Patent:US2630437,1947,,

[1]Patent:US2004/2507,2004,A1,.Locationinpatent:Page/Pagecolumn8

[2]Patent:US2004/2508,2004,A1,.Locationinpatent:Page/Pagecolumn11-12

[3]Patent:WO2005/35507,2005,A2,.Locationinpatent:Page/Pagecolumn53

[4]Patent:WO2006/99231,2006,A1,.Locationinpatent:Page/Pagecolumn38-39

[1]Patent:WO2005/123693,2005,A1,.Locationinpatent:Page/Pagecolumn55-56

[2]JournaloftheAmericanChemicalSociety,1944,vol.66,p.1768

[3]JournalofOrganicChemistry,1948,vol.13,p.161,162

[1]Patent:WO2016/30534,2016,A1,.Locationinpatent:Page/Pagecolumn110

[2]Patent:WO2017/136450,2017,A2,.Locationinpatent:Sheet105/122

[3]Patent:WO2018/6074,2018,A2,.Locationinpatent:Paragraph0076;00629

[1]Patent:WO2004/29055,2004,A1,.Locationinpatent:Page205-206

Downstream Synthesis Route

[1]CurrentPatentAssignee:EVEXIYAMEDICINES-WO2004/24708,2004,A2Locationinpatent:Page18-19

[2]CurrentPatentAssignee:BRISTOL-MYERSSQUIBBCO-WO2009/158380,2009,A1Locationinpatent:Page/Pagecolumn57

[3]Ferlin,MariaGrazia;Chiarelotto,Gianfranco;Gasparotto,Venusia;DallaVia,Lisa;Pezzi,Vincenzo;Barzon,Luisa;Palu,Giorgio;Castagliuolo,Ignazio[JournalofMedicinalChemistry,2005,vol.48,#9,p.3417-3427]

[4]Gasparotto,Venusia;Castagliuolo,Ignazio;Chiarelotto,Gianfranco;Pezzi,Vincenzo;Montanaro,Daniela;Brun,Paola;Palù,Giorgio;Viola,Giampietro;Ferlin,MariaGrazia[JournalofMedicinalChemistry,2006,vol.49,#6,p.1910-1915]

[5]Chen,Xiang;Liu,Zhi-Qiang;Lin,Chao-Ping;Zheng,Yu-Guo[BioorganicChemistry,2016,vol.65,p.82-89]

[6]CurrentPatentAssignee:MITSUBISHICHEMICALHOLDINGSCORPORATION;MitsubishiChemicalCorp(in:MCHCGroup)-EP1486493,2004,A1Locationinpatent:Page22

[7]CurrentPatentAssignee:MITSUBISHICHEMICALHOLDINGSCORPORATION;MitsubishiChemicalCorp(in:MCHCGroup)-EP1486493,2004,A1Locationinpatent:Page22-23

[8]CurrentPatentAssignee:PURDUEUNIVERSITYSYSTEM-WO2018/183587,2018,A1Locationinpatent:Paragraph0097-0099

[9]Loy,NicoleS.Y.;Choi,Subin;Kim,Sunggak;Park,Cheol-Min[ChemicalCommunications,2016,vol.52,#46,p.7336-7339]

[10]CurrentPatentAssignee:MITSUBISHICHEMICALHOLDINGSCORPORATION;MitsubishiChemicalCorp(in:MCHCGroup)-EP1486493,2004,A1Locationinpatent:Page21-22

[11]Locationinpatent:experimentalpartWhite,JamesD.;Juniku,Rajan;Huang,Kun;Yang,Jongtae;Wong,DavidT.[JournalofMedicinalChemistry,2009,vol.52,#19,p.5872-5879]

[12]CurrentPatentAssignee:OREGONHEALTH&SCIENCEUNIVERSITY-WO2011/11277,2011,A1Locationinpatent:Page/Pagecolumn70

[13]CurrentPatentAssignee:COMPOUNDHANDLING;RADBOUDUNIVERSITYNIJMEGEN-WO2013/131931,2013,A1Locationinpatent:Page/Pagecolumn38

[14]Zhang,Shun-Xiang;Bastow,KennethF.;Tachibana,Yoko;Kuo,Sheng-Chu;Hamel,Ernest;Mauger,Anthony;Narayanan,VenL.;Lee,Kuo-Hsiung[JournalofMedicinalChemistry,1999,vol.42,#20,p.4081-4087]

[15]Malkov,AndreiV.;Stoncius,Sigitas;Vrankova,Kvetoslava;Arndt,Matthias;Kocovsky,Pavel[Chemistry-AEuropeanJournal,2008,vol.14,#27,p.8082-8085]

[16]Jiang,Yan;Chen,Xing;Zheng,Yongsheng;Xue,Zhouyang;Shu,Chang;Yuan,Weicheng;Zhang,Xiaomei[AngewandteChemie-InternationalEdition,2011,vol.50,#32,p.7304-7307]

[17]Toh,KahKah;Wang,Yi-Feng;Ng,EileenPeiJian;Chiba,Shunsuke[JournaloftheAmericanChemicalSociety,2011,vol.133,#35,p.13942-13945]

[18]Aysha,Tarek;LuňákJr.,Stanislav;Lyčka,Antonín;Vyňuchal,Jan;Eliáš,Zdeněk;Růžička,Aleš;Padělková,Zdeňka;Hrdina,Radim[DyesandPigments,2013,vol.98,#3,p.530-539]

[19]Toh,KahKah;Biswas,Anup;Wang,Yi-Feng;Tan,YunYun;Chiba,Shunsuke[JournaloftheAmericanChemicalSociety,2014,vol.136,#16,p.6011-6020]

[20]Tan,Cun;Xiang,Haoyue;He,Qian;Yang,Chunhao[EuropeanJournalofOrganicChemistry,2015,vol.2015,#17,p.3656-3660]

[21]Xing,Li-Juan;Lu,Tao;Fu,Wei-Li;Lou,Mei-Mei;Chen,Bo;Wang,Zhi-Shen;Jin,Yang;Li,Dan;Wang,Bin[AdvancedSynthesisandCatalysis,2015,vol.357,#14-15,p.3076-3080]

[22]Chen,Rongxiang;Ogunlana,AbosedeAdejoke;Fang,Shangwen;Long,Wenhao;Sun,Hongmei;Bao,Xiaoguang;Wan,Xiaobing[OrganicandBiomolecularChemistry,2018,vol.16,#25,p.4683-4687]

[23]CurrentPatentAssignee:MALLINCKRODTPUBLICLIMITEDCOMPANY-US2630437,1947,A

[24]Liu,Hao-Nan;Cao,Hao-Qiang;Cheung,ChiWai;Ma,Jun-An[OrganicLetters,2020,vol.22,#4,p.1396-1401]

[25]Tu,Jia-Lin;Liu,Jia-Li;Tang,Wan;Su,Ma;Liu,Feng[OrganicLetters,2020,vol.22,#3,p.1222-1226]

[26]Blackwell,HelenE.;Manson,DanielE.;Nyffeler,KayleighE.;O'Reilly,MatthewC.[ACSInfectiousDiseases,2020]

[27]Chen,Zhiwei;Shi,Guang;Tang,Wei;Sun,Jie;Wang,Wenxing[EuropeanJournalofOrganicChemistry,2021,vol.2021,#6,p.951-955]

[28]Wu,Qiuyue;Dong,Ziyang;Xu,Jiaxi;Yang,Zhanhui[OrganicandBiomolecularChemistry,2021,vol.19,#14,p.3173-3180]

[29]Lu,Tao;Jiang,Ya-Ting;Ma,Feng-Ping;Tang,Zi-Jing;Kuang,Liu;Wang,Yu-Xuan;Wang,Bin[OrganicLetters,2017,vol.19,#23,p.6344-6347]

[30]Baidya,Mrinmay;DeSarkar,Suman;Maiti,Debabrata;Roy,Lisa[AngewandteChemie-InternationalEdition,2022,vol.61,#5][Angew.Chem.,2022,vol.134,#5]

[31]Baidya,Mrinmay;Mallick,Samrat;DeSarkar,Suman[OrganicLetters,2022,vol.24,#6,p.1274-1279]

[1]CurrentPatentAssignee:ALMIRALLSA-WO2005/123693,2005,A1Locationinpatent:Page/Pagecolumn55-56

[2]Levine;Hauser[JournaloftheAmericanChemicalSociety,1944,vol.66,p.1768]

[3]Zellars;Levine[JournalofOrganicChemistry,1948,vol.13,p.161,162]

[1]Specht,DonaldP.;Martic,PeterA.;Farid,Samir;++[Tetrahedron,1982,vol.38,#9,p.1203-1211]

13669-10-8    54664-61-8   
ethyl2-thiophen-2-yl-4,6a-dihydro-3aH-cyclopentabfuran-3-carboxylate 

[1]Tanimori,Shinji;Kirihata,Mitsunori[Synthesis,2007,#1,p.39-44]

[1]CurrentPatentAssignee:BAYERAG-US2004/2507,2004,A1Locationinpatent:Page/Pagecolumn8

[2]CurrentPatentAssignee:BAYERAG-US2004/2508,2004,A1Locationinpatent:Page/Pagecolumn11-12

[3]CurrentPatentAssignee:BAYERAG-WO2005/35507,2005,A2Locationinpatent:Page/Pagecolumn53

[4]CurrentPatentAssignee:BAYERAG-WO2006/99231,2006,A1Locationinpatent:Page/Pagecolumn38-39

Literature

Title: Cloning and overexpression of the Exiguobacterium sp. F42 gene encoding a new short chain dehydrogenase, which catalyzes the stereoselective reduction of ethyl 3-oxo-3-(2-thienyl)propanoate to ethyl (S)-3-hydroxy-3-(2-thienyl)propanoate.

Journal: Bioscience, biotechnology, and biochemistry 20040701

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SDS
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