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Home Other Building Blocks 2359-09-3
2359-09-3,MFCD00067047
Catalog No.:AA002NPW

2359-09-3 | 5-tert-Butylisophthalic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
98%(HPLC)
in stock  
$24.00   $17.00
- +
5g
95%
in stock  
$42.00   $30.00
- +
25g
95%
in stock  
$107.00   $75.00
- +
100g
98%
in stock  
$259.00   $182.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA002NPW
Chemical Name:
5-tert-Butylisophthalic acid
CAS Number:
2359-09-3
Molecular Formula:
C12H14O4
Molecular Weight:
222.2372
MDL Number:
MFCD00067047
SMILES:
OC(=O)c1cc(cc(c1)C(C)(C)C)C(=O)O
Properties
Properties
 
BP:
400°C at 760 mmHg  
Form:
Solid  
MP:
>300 °C(lit.)  
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
268  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
3  
XLogP3:
2.6  

Downstream Synthesis Route

[1]Baston,Eckhard;Maggi,Raimondo;Friedrich,Kirstin;Schlosser,Manfred[EuropeanJournalofOrganicChemistry,2001,#21,p.3985-3989]

[2]Baston,Eckhard;Maggi,Raimondo;Friedrich,Kirstin;Schlosser,Manfred[EuropeanJournalofOrganicChemistry,2001,#21,p.3985-3989]

[1]JournalofOrganicChemistry,1956,vol.21,p.736

[1]Patent:EP2103600,2009,A1.Locationinpatent:Page/Pagecolumn11

[2]Patent:US2012/88920,2012,A1.Locationinpatent:Page/Pagecolumn6

[1]CurrentPatentAssignee:RAQUALIAPHARMAINC.-WO2011/58766,2011,A1Locationinpatent:Page/Pagecolumn74

[1]CurrentPatentAssignee:RAQUALIAPHARMAINC.-WO2011/58766,2011,A1

Literature

Title: A tri-layer structure consisting of novel heptacobaltate clusters and single cobalt centers bridged by 5-tert-butyl isophthalate.

Journal: Dalton transactions (Cambridge, England : 2003) 20111014

Title: Poly[(μ(2)-4,4'-bipyridine)bis-(μ(4)-5-tert-butyl-isophthalato)bis-(μ(3)-5-tert-butyl-isophthalato)di-μ(3)-hydroxido-penta-zinc(II)].

Journal: Acta crystallographica. Section E, Structure reports online 20090901

Title: Self-assembly of a series of cobalt(II) coordination polymers constructed from H2tbip and dipyridyl-based ligands.

Journal: Inorganic chemistry 20090202

Title: catena-Poly[[(2,2'-bipyridine)copper(II)]-μ-5-tert-butyl-isophthalato].

Journal: Acta crystallographica. Section E, Structure reports online 20081201

Title: Zn(tbip) (H2tbip= 5-tert-butyl isophthalic acid): a highly stable guest-free microporous metal organic framework with unique gas separation capability.

Journal: Journal of the American Chemical Society 20060405

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SDS
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Tags:2359-09-3 Molecular Formula|2359-09-3 MDL|2359-09-3 SMILES|2359-09-3 5-tert-Butylisophthalic acid