2,5-Dihydroxyterephthalic Acid
Product Information
Molecular Formula
C8H6O6
Molecular Weight
198.13
Description
2,5-dihydroxyterephthalic acid (DHTA)is prepared by bromine/sulphuric acid mediated aromatization of diethyl succinoylsucinate, followed by hydrolysis.
Synonyms
2,5-dihydroxyterephthalic acid; 2,5-dihydroxyterephthalic acid
IUPAC Name
2,5-dihydroxyterephthalic acid
SMILES
C1=C(C(=CC(=C1O)C(=O)O)O)C(=O)O
InChI
InChI=1S/C8H6O6/c9-5-1-3(7(11)12)6(10)2-4(5)8(13)14/h1-2,9-10H,(H,11,12)(H,13,14)
InChI Key
OYFRNYNHAZOYNF-UHFFFAOYSA-N
Boiling Point
498.9 °C at 760 mmHg
Melting Point
>300 °C (lit.)
Purity
> 98.0 % (T) (HPLC)
Density
1.779 g/cm3
Appearance
Light yellow to yellow to green powder to crystal
Storage
Store under inert gas
LogP
0.49420
Safety Information
Hazards
H315 - H319 - H335
Precautionary Statement
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word
Warning
Computed Properties
XLogP3
1.4
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
6
Rotatable Bond Count
2
Exact Mass
198.01643791 g/mol
Monoisotopic Mass
198.01643791 g/mol
Topological Polar Surface Area
115Ų
Heavy Atom Count
14
Formal Charge
0
Complexity
224
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
Patents
| Publication Number | Title | Priority Date |
|---|---|---|
| US-11046901-B1 | Naphthenic acid corrosion inhibitors for a refinery | 2020-06-15 |
| WO-2021118292-A2 | Composition for wound healing, containing metal-organic framework | 2019-12-13 |
| WO-2021111976-A1 | Method for producing polymer | 2019-12-04 |
| WO-2021111977-A1 | Composition for forming resist underlayer film | 2019-12-04 |
| WO-2021066742-A1 | Polycrystalline metal-organic framework membranes for separation of mixtures | 2019-09-30 |
| WO-2021057813-A1 | Sulfimide photo-acid generator, photosensitive resin composition, patterning method, use of photosensitive resin composition | 2019-09-25 |
| WO-2021041049-A1 | Separation of 1-butene from 2-butene using framework open metal sites | 2019-09-01 |
| US-2021053903-A1 | Applying hansen solubility parameters to metal-organic framework synthesis conditions | 2019-08-23 |
| US-2021036234-A1 | White light emitting material, preparation method thereof, and application thereof | 2019-07-31 |
| WO-2021007987-A1 | Mofs/mips catalyst, in situ growth preparation method for same, and applications thereof | 2019-07-15 |
Literatures
| PMID | Publication Date | Title | Journal |
|---|---|---|---|
| 22903310 | 2012-10-14 | Carbon dioxide adsorption by physisorption and chemisorption interactions in piperazine-grafted Ni2(dobdc) (dobdc = 1,4-dioxido-2,5-benzenedicarboxylate) | Dalton transactions (Cambridge, England : 2003) |
| 22892796 | 2012-10-07 | Diversity of lanthanide(III)-2,5-dihydroxy-1,4-benzenedicarboxylate extended frameworks: syntheses, structures, and magnetic properties | Dalton transactions (Cambridge, England : 2003) |
| 22988809 | 2012-10-01 | Luminescent microporous metal-organic framework with functional lewis basic sites on the pore surface: specific sensing and removal of metal ions | Inorganic chemistry |
| 22908934 | 2012-09-05 | CO2 dynamics in a metal-organic framework with open metal sites | Journal of the American Chemical Society |
| 22371265 | 2012-04-14 | Hydrogen adsorption in the metal-organic frameworks Fe2(dobdc) and Fe2(O2)(dobdc) | Dalton transactions (Cambridge, England : 2003) |
| 22461607 | 2012-03-30 | Hydrocarbon separations in a metal-organic framework with open iron(II) coordination sites | Science (New York, N.Y.) |
| 22143973 | 2012-01-02 | A metal-organic framework with highly polar pore surfaces: selective CO2 adsorption and guest-dependent on/off emission properties | Chemistry (Weinheim an der Bergstrasse, Germany) |
| 22074154 | 2011-12-21 | Metal-specific interactions of H2 adsorbed within isostructural metal-organic frameworks | Journal of the American Chemical Society |
| 21830751 | 2011-09-21 | Selective binding of O2 over N2 in a redox-active metal-organic framework with open iron(II) coordination sites | Journal of the American Chemical Society |
| 21877685 | 2011-09-21 | A solid lithium electrolyte via addition of lithium isopropoxide to a metal-organic framework with open metal sites | Journal of the American Chemical Society |
