Home Bromides 1369594-41-1
1369594-41-1,MFCD11846605
Catalog No.:AA0012IL

1369594-41-1 | 1-(4-Bromo-2-fluoro-6-hydroxyphenyl)ethanone

Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
98%
in stock  
$17.00   $12.00
- +
250mg
98%
in stock  
$41.00   $29.00
- +
1g
98%
in stock  
$110.00   $77.00
- +
5g
98%
in stock  
$445.00   $312.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA0012IL
Chemical Name:
1-(4-Bromo-2-fluoro-6-hydroxyphenyl)ethanone
CAS Number:
1369594-41-1
Molecular Formula:
C8H6BrFO2
Molecular Weight:
233.0344
MDL Number:
MFCD11846605
SMILES:
Brc1cc(O)c(c(c1)F)C(=O)C
Properties
Computed Properties
 
Complexity:
186  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
1  
XLogP3:
2.6  

Downstream Synthesis Route

[1]CurrentPatentAssignee:MERCK&COINC-WO2012/41227,2012,A1Locationinpatent:Page/Pagecolumn96-97

[2]CurrentPatentAssignee:MERCK&COINC-WO2012/40924,2012,A1Locationinpatent:Example17

[1]Patent:WO2012/40924,2012,A1

[2]Patent:WO2012/40923,2012,A1

[3]BioorganicandMedicinalChemistryLetters,2016,vol.26,p.4851-4856

[4]JournalofMedicinalChemistry,2016,vol.59,p.10228-10243

[5]JournalofMedicinalChemistry,2018,vol.61,p.8468-8473

[6]Patent:WO2012/41014,2012,A1

[1]Yu,Wensheng;Zhou,Guowei;Coburn,CraigA.;Zeng,Qingbei;Tong,Ling;Dwyer,MichaelP.;Hu,Bin;Zhong,Bin;Hao,Jinglai;Ji,Tao;Zan,Shuai;Chen,Lei;Mazzola,Robert;Kim,Jae-Hun;Sha,Deyou;Selyutin,Oleg;Rosenblum,StuartB.;Lavey,Brian;Nair,AnilkumarG.;HeonKim,Seong;Keertikar,KerryM.;Rokosz,Laura;Agrawal,Sony;Liu,Rong;Xia,Ellen;Zhai,Ying;Curry,Stephanie;McMonagle,Patricia;Ingravallo,Paul;Asante-Appiah,Ernest;Chen,Shiying;Kozlowski,JosephA.[BioorganicandMedicinalChemistryLetters,2016,vol.26,#19,p.4851-4856]

[2]Yu,Wensheng;Tong,Ling;Hu,Bin;Zhong,Bin;Hao,Jinglai;Ji,Tao;Zan,Shuai;Coburn,CraigA.;Selyutin,Oleg;Chen,Lei;Rokosz,Laura;Agrawal,Sony;Liu,Rong;Curry,Stephanie;McMonagle,Patricia;Ingravallo,Paul;Asante-Appiah,Ernest;Chen,Shiying;Kozlowski,JosephA.[JournalofMedicinalChemistry,2016,vol.59,#22,p.10228-10243]

[3]CurrentPatentAssignee:MERCK&COINC-WO2012/41014,2012,A1Locationinpatent:Page/Pagecolumn126

[1]CurrentPatentAssignee:MERCK&COINC-WO2012/41014,2012,A1Locationinpatent:Page/Pagecolumn122-123

[2]CurrentPatentAssignee:MERCK&COINC-WO2012/40923,2012,A1Locationinpatent:Page/Pagecolumn104CurrentPatentAssignee:MERCK&COINC-WO2012/50848,2012,A1Locationinpatent:Page/Pagecolumn104

[3]Wu,Deyan;Huang,Yadan;Chen,Yiping;Huang,Yi-You;Geng,Haiju;Zhang,Tianhua;Zhang,Chen;Li,Zhe;Guo,Lei;Chen,Jianwen;Luo,Hai-Bin[JournalofMedicinalChemistry,2018,vol.61,#18,p.8468-8473]

[4]CurrentPatentAssignee:JIANGSUHENGRUIMEDICINECO.,LTD.-CN113264945,2021,ALocationinpatent:Paragraph1523-1525;1531-1533

[5]Yu,Wensheng;Zhou,Guowei;Coburn,CraigA.;Zeng,Qingbei;Tong,Ling;Dwyer,MichaelP.;Hu,Bin;Zhong,Bin;Hao,Jinglai;Ji,Tao;Zan,Shuai;Chen,Lei;Mazzola,Robert;Kim,Jae-Hun;Sha,Deyou;Selyutin,Oleg;Rosenblum,StuartB.;Lavey,Brian;Nair,AnilkumarG.;HeonKim,Seong;Keertikar,KerryM.;Rokosz,Laura;Agrawal,Sony;Liu,Rong;Xia,Ellen;Zhai,Ying;Curry,Stephanie;McMonagle,Patricia;Ingravallo,Paul;Asante-Appiah,Ernest;Chen,Shiying;Kozlowski,JosephA.[BioorganicandMedicinalChemistryLetters,2016,vol.26,#19,p.4851-4856]

[6]Yu,Wensheng;Tong,Ling;Hu,Bin;Zhong,Bin;Hao,Jinglai;Ji,Tao;Zan,Shuai;Coburn,CraigA.;Selyutin,Oleg;Chen,Lei;Rokosz,Laura;Agrawal,Sony;Liu,Rong;Curry,Stephanie;McMonagle,Patricia;Ingravallo,Paul;Asante-Appiah,Ernest;Chen,Shiying;Kozlowski,JosephA.[JournalofMedicinalChemistry,2016,vol.59,#22,p.10228-10243]

[1]Yu,Wensheng;Zhou,Guowei;Coburn,CraigA.;Zeng,Qingbei;Tong,Ling;Dwyer,MichaelP.;Hu,Bin;Zhong,Bin;Hao,Jinglai;Ji,Tao;Zan,Shuai;Chen,Lei;Mazzola,Robert;Kim,Jae-Hun;Sha,Deyou;Selyutin,Oleg;Rosenblum,StuartB.;Lavey,Brian;Nair,AnilkumarG.;HeonKim,Seong;Keertikar,KerryM.;Rokosz,Laura;Agrawal,Sony;Liu,Rong;Xia,Ellen;Zhai,Ying;Curry,Stephanie;McMonagle,Patricia;Ingravallo,Paul;Asante-Appiah,Ernest;Chen,Shiying;Kozlowski,JosephA.[BioorganicandMedicinalChemistryLetters,2016,vol.26,#19,p.4851-4856]

[2]Tong,Ling;Yu,Wensheng;Coburn,CraigA.;Chen,Lei;Selyutin,Oleg;Zeng,Qingbei;Dwyer,MichaelP.;Nair,AnilkumarG.;Shankar,BandarpalleB.;Kim,SeongHeon;Yang,De-Yi;Rosenblum,StuartB.;Ruck,RebeccaT.;Davies,IanW.;Hu,Bin;Zhong,Bin;Hao,Jinglai;Ji,Tao;Zan,Shuai;Liu,Rong;Agrawal,Sony;Carr,Donna;Curry,Stephanie;McMonagle,Patricia;Bystol,Karin;Lahser,Frederick;Ingravallo,Paul;Chen,Shiying;Asante-Appiah,Ernest;Kozlowski,JosephA.[BioorganicandMedicinalChemistryLetters,2016,vol.26,#21,p.5354-5360]

[3]Yu,Wensheng;Tong,Ling;Hu,Bin;Zhong,Bin;Hao,Jinglai;Ji,Tao;Zan,Shuai;Coburn,CraigA.;Selyutin,Oleg;Chen,Lei;Rokosz,Laura;Agrawal,Sony;Liu,Rong;Curry,Stephanie;McMonagle,Patricia;Ingravallo,Paul;Asante-Appiah,Ernest;Chen,Shiying;Kozlowski,JosephA.[JournalofMedicinalChemistry,2016,vol.59,#22,p.10228-10243]

[4]Tong,Ling;Yu,Wensheng;Chen,Lei;Selyutin,Oleg;Dwyer,MichaelP.;Nair,AnilkumarG.;Mazzola,Robert;Kim,Jae-Hun;Sha,Deyou;Yin,Jingjun;Ruck,RebeccaT.;Davies,IanW.;Hu,Bin;Zhong,Bin;Hao,Jinglai;Ji,Tao;Zan,Shuai;Liu,Rong;Agrawal,Sony;Xia,Ellen;Curry,Stephanie;McMonagle,Patricia;Bystol,Karin;Lahser,Frederick;Carr,Donna;Rokosz,Laura;Ingravallo,Paul;Chen,Shiying;Feng,Kung-I;Cartwright,Mark;Asante-Appiah,Ernest;Kozlowski,JosephA.[JournalofMedicinalChemistry,2017,vol.60,#1,p.290-306]

[5]CurrentPatentAssignee:MERCK&COINC-WO2012/41014,2012,A1

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Tags:1369594-41-1 Molecular Formula|1369594-41-1 MDL|1369594-41-1 SMILES|1369594-41-1 1-(4-Bromo-2-fluoro-6-hydroxyphenyl)ethanone