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46331-50-4,MFCD00272364
Catalog No.:AA003MRO

46331-50-4 | 5-Methoxyisophthalic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
97%
in stock  
$6.00   $4.00
- +
1g
97%
in stock  
$8.00   $6.00
- +
5g
97%
in stock  
$38.00   $27.00
- +
10g
97%
in stock  
$75.00   $53.00
- +
25g
97%
in stock  
$187.00   $131.00
- +
100g
97%
in stock  
$699.00   $490.00
- +
  • 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:
AA003MRO
Chemical Name:
5-Methoxyisophthalic acid
CAS Number:
46331-50-4
Molecular Formula:
C9H8O5
Molecular Weight:
196.1568
MDL Number:
MFCD00272364
SMILES:
COc1cc(cc(c1)C(=O)O)C(=O)O
NSC Number:
302547
Properties
Properties
 
BP:
440.8°C at 760 mmHg  
Form:
Solid  
MP:
275-280 °C(lit.)  
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
215  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
3  
XLogP3:
1.7  

Upstream Synthesis Route

[1]JournalofFluorineChemistry,1996,vol.81,#1,p.59-63

[1]Chemistry-AEuropeanJournal,2017,vol.23,#30,p.7361-7366

[2]Chemistry-AEuropeanJournal,2014,vol.20,#40,p.12790-12795

[3]JournalofFluorineChemistry,1996,vol.81,#1,p.59-63

[4]Macromolecules,2012,vol.45,#24,p.9707-9718

[5]Chemistry-AEuropeanJournal,2005,vol.11,#7,p.2196-2206

[6]DaltonTransactions,2015,vol.44,#40,p.17686-17695

[7]CrystEngComm,2016,vol.18,#7,p.1123-1132

[8]EuropeanJournalofInorganicChemistry,2018,vol.2018,#11,p.1309-1314

[9]BioorganicandMedicinalChemistryLetters,1998,vol.8,#24,p.3459-3464

[10]TetrahedronLetters,1998,vol.39,#24,p.4317-4320

[11]Patent:US2003/55085,2003,A1,

[1]Chemistry-AEuropeanJournal,2018,vol.24,#30,p.7671-7682

[2]ChemischeBerichte,1931,vol.64,p.2270,2276

[3]IndustrialandEngineeringChemistry,AnalyticalEdition,1934,vol.6,p.7,11

[4]JournaloftheChemicalSociety,1934,p.418,420

[5]Tetrahedron,1964,vol.20,p.723-739

[1]BioorganicandMedicinalChemistryLetters,1998,vol.8,#24,p.3459-3464

[2]Macromolecules,2012,vol.45,#24,p.9707-9718

[3]Chemistry-AEuropeanJournal,2014,vol.20,#40,p.12790-12795

[1]BioorganicandMedicinalChemistryLetters,1998,vol.8,#24,p.3459-3464

[2]Chemistry-AEuropeanJournal,2014,vol.20,#40,p.12790-12795

[3]Chemistry-AEuropeanJournal,2017,vol.23,#30,p.7361-7366

[4]EuropeanJournalofInorganicChemistry,2018,vol.2018,#11,p.1309-1314

Downstream Synthesis Route

[1]Chemistry-AEuropeanJournal,2018,vol.24,p.7671-7682

[2]ChemischeBerichte,1931,vol.64,p.2270,2276

[3]Tetrahedron,1964,vol.20,p.723-739

[1]JournalofOrganicChemistry,1988,vol.53,p.2744-2757

[1]Chemicalandpharmaceuticalbulletin,1987,vol.35,p.3453-3459

[1]Chemicalandpharmaceuticalbulletin,1987,vol.35,p.3453-3459

[1]Patent:US6864240,2005,B1

Literature

Title: Two novel 3-D coordination polymers with 5-methoxyisophthalate and flexible N-donor co-ligands showing pentanuclear or alternate mono/binuclear Cu(II) units.

Journal: Dalton transactions (Cambridge, England : 2003) 20120221

Title: Copper(II) 5-methoxyisophthalate coordination polymers incorporating dipyridyl co-ligands: syntheses, crystal structures, and magnetic properties.

Journal: Dalton transactions (Cambridge, England : 2003) 20100307

Title: catena-Poly[[[aqua-(2,2'-bipyridine)manganese(II)]-μ-5-methoxy-iso-phthalato-κO,O':O''] monohydrate].

Journal: Acta crystallographica. Section E, Structure reports online 20091001

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SDS
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