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25177-85-9,MFCD00085095
Catalog No.:AA002QOR

25177-85-9 | 2-Indanecarboxylic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
95%
in stock  
$6.00   $4.00
- +
1g
98%
in stock  
$9.00   $6.00
- +
5g
98%
in stock  
$22.00   $15.00
- +
25g
98%
in stock  
$95.00   $67.00
- +
  • 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:
AA002QOR
Chemical Name:
2-Indanecarboxylic acid
CAS Number:
25177-85-9
Molecular Formula:
C10H10O2
Molecular Weight:
162.1852
MDL Number:
MFCD00085095
SMILES:
OC(=O)C1Cc2c(C1)cccc2
Properties
Properties
 
BP:
192 °C / 18mmHg  
Form:
Solid  
MP:
128-132 °C(lit.)  
Refractive Index:
1.6000 (estimate)  
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
174  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
1  
XLogP3:
1.7  

Upstream Synthesis Route

[1]Patent:WO2006/104406,2006,A1,.Locationinpatent:Page/Pagecolumn112

[2]JournalofMedicinalChemistry,2008,vol.51,#21,p.6853-6865

[1]Patent:US5252601,1993,A,

[2]Patent:US5420271,1995,A,

[3]Patent:US5428158,1995,A,

[4]Patent:US5604221,1997,A,

[5]JournalofMedicinalChemistry,1989,vol.32,#8,p.1988-1996

[1]Patent:US5420271,1995,A,

[2]Patent:US5428158,1995,A,

[3]Patent:US5604221,1997,A,

[4]JournaloftheSouthAfricanChemicalInstitute,1957,vol.10,p.5,10

[1]JournaloftheChemicalSociety,1888,vol.53,p.7

[2]ChemischeBerichte,1884,vol.17,p.124

[3]ChemischeBerichte,1893,vol.26,p.2251

[4]JournaloftheChemicalSociety,1894,vol.65,p.233

[5]JournalofMedicinalChemistry,1989,vol.32,#8,p.1988-1996

[6]Patent:US5840729,1998,A,

[7]Patent:US6262087,2001,B1,

[8]Patent:US6352988,2002,B2,.Locationinpatent:Pagecolumn22

[9]JournalofMaterialsChemistryA,2014,vol.2,#44,p.18823-18830

[10]Patent:US5047534,1991,A,

[1]Patent:EP885869,1998,A1,

Downstream Synthesis Route

[1]JournalofMedicinalChemistry,1992,vol.35,p.924-930

[2]Journalofmedicinalchemistry,1993,vol.36,p.4015-4020

25177-85-9    111865-98-6   
C10H9O2 

[1]JournaloftheChemicalSociety.PerkintransactionsII,1987,p.371-380

25177-85-9    252002-18-9   
C26H32N2O 

[1]JournalofMedicinalChemistry,2006,vol.49,p.847-849

[1]JournalofMedicinalChemistry,2006,vol.49,p.4409-4424

[1]BioorganicandMedicinalChemistryLetters,2007,vol.17,p.2465-2469

[2]Patent:WO2015/42397,2015,A1.Locationinpatent:Paragraph000258

[3]JournalofMedicinalChemistry,2011,vol.54,p.2805-2822

[4]Patent:WO2012/106569,2012,A1.Locationinpatent:Page/Pagecolumn135

[5]Patent:WO2004/69256,2004,A1.Locationinpatent:Page/Pagecolumn36

Literature

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters 20101101

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SDS
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