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Home Other Building Blocks 1255099-13-8
1255099-13-8,MFCD17926442
Catalog No.:AA000NOP

1255099-13-8 | 3-Ethynyl-4-methyl-benzoic acid methyl ester

Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
97%
1 week  
$26.00   $18.00
- +
250mg
97%
1 week  
$58.00   $41.00
- +
1g
97%
1 week  
$164.00   $115.00
- +
5g
97%
1 week  
$502.00   $351.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA000NOP
Chemical Name:
3-Ethynyl-4-methyl-benzoic acid methyl ester
CAS Number:
1255099-13-8
Molecular Formula:
C11H10O2
Molecular Weight:
174.1959
MDL Number:
MFCD17926442
SMILES:
COC(=O)c1ccc(c(c1)C#C)C
Properties
Computed Properties
 
Complexity:
236  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Rotatable Bond Count:
3  
XLogP3:
2.4  

Downstream Synthesis Route
90347-66-3    1066-54-2   
methyl3-ethynyl-4-methylbenzoate 

[1]JournalofEnzymeInhibitionandMedicinalChemistry,2017,vol.32,p.331-336

[2]Patent:WO2009/3998,2009,A2.Locationinpatent:Page/Pagecolumn30-31

[3]Patent:US2014/343282,2014,A1.Locationinpatent:Paragraph0074;0097

[1]CurrentPatentAssignee:MONTEFIOREMEDICALCENTER-WO2020/176501,2020,A1Locationinpatent:Paragraph0182;0185

[2]CurrentPatentAssignee:SICHUANUNIVERSITY;STCHUANUNIV-US2017/305920,2017,A1Locationinpatent:Paragraph0203

[3]CurrentPatentAssignee:BENEVOLENTAILIMITED;BENGCENEARTIFICIALINTELLIGENCEBIOTECHNOLOGYLTD-WO2020/260871,2020,A1Locationinpatent:Page/Pagecolumn57

[4]CurrentPatentAssignee:BENEVOLENTAILIMITED-WO2022/129913,2022,A1Locationinpatent:Page/Pagecolumn57-58

[5]CurrentPatentAssignee:BENEVOLENTAILIMITED-WO2022/129913,2022,A1Locationinpatent:Page/Pagecolumn57-58

[6]CurrentPatentAssignee:C.H.BoehringerSohnAG&Co.KG-WO2009/3998,2009,A2Locationinpatent:Page/Pagecolumn30-31

[7]CurrentPatentAssignee:VIATRISINC-US2014/343282,2014,A1Locationinpatent:Paragraph0074;0097

[8]CurrentPatentAssignee:SHENZHENNEWDELBIOTECH;JINANUNIVERSITY(GUANGZHOU)-WO2022/217821,2022,A1Locationinpatent:Page/Pagecolumn35-36

[9]CurrentPatentAssignee:SHENZHENNEWDELBIOTECH;JINANUNIVERSITY(GUANGZHOU)-WO2022/217821,2022,A1Locationinpatent:Page/Pagecolumn35-36

[1]CurrentPatentAssignee:SUNPHARMAADVANCEDRESEARCHCOMPANYLIMITED-WO2012/98416,2012,A1Locationinpatent:Page/Pagecolumn41-42

90347-66-3   
methyl3-ethynyl-4-methylbenzoate 

[1]Patent:WO2012/98416,2012,A1

[2]JournalofMedicinalChemistry,2013,vol.56,p.3281-3295

[3]Patent:US2017/305920,2017,A1

[4]Patent:CN107353286,2017,A

[5]JournalofMedicinalChemistry,2018,vol.61,p.7977-7990

[1]Durner,Anna;Koufaki,Maria;Kritsi,Eftichia;Nicke,Annette;Papakostas,Alexios;T.Pournara,Dimitra;Zoumpoulakis,Panagiotis[ChemMedChem,2020,vol.15,#24,p.2530-2543]

[2]CurrentPatentAssignee:MONTEFIOREMEDICALCENTER-WO2020/176501,2020,A1Locationinpatent:Paragraph0182;0184

[3]Gao,Mingshan;Duan,Lei;Luo,Jinfeng;Zhang,Lianwen;Lu,Xiaoyun;Zhang,Yan;Zhang,Zhang;Tu,Zhengchao;Xu,Yong;Ren,Xiaomei;Ding,Ke[JournalofMedicinalChemistry,2013,vol.56,#8,p.3281-3295]

[4]CurrentPatentAssignee:BEIJINGSCITECHMQPHARMACEUTICALS;BEIJINGSAITEMINGQIANGPHARMACEUTICALTECH-CN111484482,2020,ALocationinpatent:Paragraph0119;0120;0122

[5]CurrentPatentAssignee:NATINSTITUTEOFBIOLOGICALSCIENCESBEIJING-CN107353286,2017,ALocationinpatent:Paragraph0048;0049

[6]CurrentPatentAssignee:SUNPHARMAADVANCEDRESEARCHCOMPANYLIMITED-WO2012/98416,2012,A1Locationinpatent:Page/Pagecolumn40-41

[7]CurrentPatentAssignee:SICHUANUNIVERSITY;STCHUANUNIV-US2017/305920,2017,A1Locationinpatent:Paragraph0203

[8]Wang,Zhen;Zhang,Yali;Pinkas,DanielM.;Fox,AliceE.;Luo,Jinfeng;Huang,Huocong;Cui,Shengyang;Xiang,Qiuping;Xu,Tingting;Xun,Qiuju;Zhu,Dongsheng;Tu,Zhengchao;Ren,Xiaomei;Brekken,RolfA.;Bullock,AlexN.;Liang,Guang;Ding,Ke;Lu,Xiaoyun[JournalofMedicinalChemistry,2018,vol.61,#17,p.7977-7990]

[9]CurrentPatentAssignee:SHENZHENNEWDELBIOTECH;JINANUNIVERSITY(GUANGZHOU)-WO2022/217821,2022,A1Locationinpatent:Page/Pagecolumn34-35

[10]CurrentPatentAssignee:SHENZHENNEWDELBIOTECH;JINANUNIVERSITY(GUANGZHOU)-WO2022/217821,2022,A1Locationinpatent:Page/Pagecolumn34-35

Literature
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SDS
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Tags:1255099-13-8 Molecular Formula|1255099-13-8 MDL|1255099-13-8 SMILES|1255099-13-8 3-Ethynyl-4-methyl-benzoic acid methyl ester