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83249-10-9,MFCD20638314
Catalog No.:AA0057F8

83249-10-9 | 3-(Methoxycarbonyl)bicyclo[1.1.1]pentane-1-carboxylic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
95%
in stock  
$8.00   $6.00
- +
250mg
95%
in stock  
$10.00   $7.00
- +
1g
95%
in stock  
$13.00   $9.00
- +
5g
95%
in stock  
$53.00   $37.00
- +
25g
95%
in stock  
$189.00   $132.00
- +
100g
95%
in stock  
$753.00   $527.00
- +
  • 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:
AA0057F8
Chemical Name:
3-(Methoxycarbonyl)bicyclo[1.1.1]pentane-1-carboxylic acid
CAS Number:
83249-10-9
Molecular Formula:
C8H10O4
Molecular Weight:
170.1626
MDL Number:
MFCD20638314
SMILES:
COC(=O)C12CC(C1)(C2)C(=O)O
Properties
Properties
 
BP:
272.2±40.0°C at 760 mmHg  
Form:
Solid  
MP:
138-139℃(Solv: chloroform (67-66-3); heptane (142-82-5))  
Storage:
Keep in dry area;2-8℃;  

Computed Properties
 
Complexity:
249  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
3  
XLogP3:
-0.1  

Upstream Synthesis Route

[1]JournalofOrganicChemistry,1982,vol.47,#25,p.4985-4995

[1]EuropeanJournalofOrganicChemistry,2017,vol.2017,#43,p.6450-6456

[2]BioorganicandMedicinalChemistry,2001,vol.9,#2,p.221-227

[3]JournalofMedicinalChemistry,2012,vol.55,#7,p.3414-3424

[4]JournalofOrganicChemistry,1988,vol.53,#19,p.4593-4594

[5]JournalofMedicinalChemistry,1996,vol.39,#15,p.2874-2876

[6]Patent:WO2017/59191,2017,A1,.Locationinpatent:Paragraph001004-00106

[1]Patent:WO2017/157932,2017,A1,.Locationinpatent:Page/Pagecolumn27

[1]Patent:WO2017/157932,2017,A1,.Locationinpatent:Page/Pagecolumn25

[1]JournalofOrganicChemistry,1982,vol.47,#25,p.4985-4995

[2]EuropeanJournalofOrganicChemistry,2004,#3,p.493-498

[3]Patent:WO2016/11930,2016,A1,.Locationinpatent:Page/Pagecolumn171;172

Downstream Synthesis Route

[1]JournalofOrganicChemistry,1982,vol.47,p.4985-4995

[1]Della,ErnestW.;Head,NicholasJ.[JournalofOrganicChemistry,1992,vol.57,#10,p.2850-2855]

[2]Patrick,TimothyB.;Khazaeli,Sadegh;Nadji,Sourena;Hering-Smith,Katy;Reif,Dirk[JournalofOrganicChemistry,1993,vol.58,#3,p.705-708]

[3]Kaszynski,Piotr;Murdie,NeilD.Mc;Michl,Josef[JournalofOrganicChemistry,1991,vol.56,#1,p.307-316]

[1]Kaszynski,Piotr;Murdie,NeilD.Mc;Michl,Josef[JournalofOrganicChemistry,1991,vol.56,#1,p.307-316]

[2]Kaszynski,Piotr;Murdie,NeilD.Mc;Michl,Josef[JournalofOrganicChemistry,1991,vol.56,#1,p.307-316]

[1]JournalofOrganicChemistry,1982,vol.47,p.4985-4995

[1]Della,ErnestW.;Head,NicholasJ.[JournalofOrganicChemistry,1992,vol.57,#10,p.2850-2855]

[2]Dallaston,MadeleineA.;Houston,SevanD.;Williams,CraigM.[Chemistry-AEuropeanJournal,2020,vol.26,#52,p.11966-11970]

[3]CurrentPatentAssignee:KIMEKSHANGHAIMEDICALSCIENCEANDTECH-CN114349774,2022,A

Literature
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SDS
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Tags:83249-10-9 Molecular Formula|83249-10-9 MDL|83249-10-9 SMILES|83249-10-9 3-(Methoxycarbonyl)bicyclo[1.1.1]pentane-1-carboxylic acid