5-TERT-BUTYLISOPHTHALIC ACID
Product Information
Molecular Formula
C12H14O4
Molecular Weight
222.24
Description
5-Tert-Butylisophthalic Acid is an invaluable compound within the biomedical industry and exhibits significant potential for therapeutic interventions across a diverse range of ailments.This compound beholds a profound capability to impede the expansion of tumorous growth and instigate programmed cell death, thus rendering it an admirable candidate for combatting cancers, particularly those emanating from the lungs and mammary glands. Moreover, its versatile application extends to facilitating the evolution of precise, targeted drug supply systems, thereby augmenting the potency of medication while concurrently mitigating untoward reactions.
Synonyms
1,3-Benzenedicarboxylicacid,5-(1,1-dimethylethyl)-; 3-Benzenedicarboxylicacid,5-(1,1-dimethylethyl)-1; 5-(1,1-dimethylethyl)-3-benzenedicarboxylicacid; 5-tert-butyl-1,3-benzenedicarboxylicacid; 3-TERT-BUTYL-5-CARBOXYLIC ACID BENZOIC ACID; 5-TERT-BUTYLISOPHTHA
IUPAC Name
5-tert-butylbenzene-1,3-dicarboxylic acid
SMILES
CC(C)(C)C1=CC(=CC(=C1)C(=O)O)C(=O)O
InChI
InChI=1S/C12H14O4/c1-12(2,3)9-5-7(10(13)14)4-8(6-9)11(15)16/h4-6H,1-3H3,(H,13,14)(H,15,16)
InChI Key
BJLUCDZIWWSFIB-UHFFFAOYSA-N
Melting Point
>300 °C (lit.)
Flash Point
Not applicable
Purity
0.98
Safety Information
Hazards
H315 - H319 - H335
Precautionary Statement
P302 + P352 - P305 + P351 + P338
Computed Properties
XLogP3
2.6
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
3
Exact Mass
222.08920892 g/mol
Monoisotopic Mass
222.08920892 g/mol
Topological Polar Surface Area
74.6Ų
Heavy Atom Count
16
Formal Charge
0
Complexity
268
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 |
|---|---|---|
| JP-2022009369-A | Deodorant for daily life odor | 2021-10-21 |
| CN-113480768-A | Preparation method of ordered low-surface-energy polymer film with multi-scale structure | 2021-07-27 |
| CN-113429565-A | High-toughness semi-aromatic polyamide resin and preparation method thereof | 2021-06-29 |
| JP-2021080483-A | Complex | 2021-03-04 |
| CN-112646173-A | Semi-aromatic polyamide resin and preparation method thereof | 2020-12-04 |
| WO-2022030602-A1 | Liquid-crystal composition, method for producing liquid-crystal display element, and liquid-crystal display element | 2020-08-06 |
| WO-2022029078-A1 | A polyester molding comprising a metal-organic framework having a low outgassing of volatile organic compounds | 2020-08-03 |
| JP-2022027562-A | Porous zinc complex and its manufacturing method | 2020-07-29 |
| CN-111718493-A | Method for preparing MAMS-1 nanosheet by liquid-phase stripping method and application thereof | 2020-06-10 |
| CN-111718493-B | Method for preparing MAMS-1 nanosheet by liquid-phase stripping method and application thereof | 2020-06-10 |
Literatures
| PMID | Publication Date | Title | Journal |
|---|---|---|---|
| 21860860 | 2011-10-14 | A tri-layer structure consisting of novel heptacobaltate clusters and single cobalt centers bridged by 5-tert-butyl isophthalate | Dalton transactions (Cambridge, England : 2003) |
| 21577432 | 2009-08-15 | 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)] | Acta crystallographica. Section E, Structure reports online |
| 19117421 | 2009-02-02 | Self-assembly of a series of cobalt(II) coordination polymers constructed from H2tbip and dipyridyl-based ligands | Inorganic chemistry |
| 21581122 | 2008-11-08 | catena-Poly[[(2,2'-bipyridine)copper(II)]-μ-5-tert-butyl-isophthalato] | Acta crystallographica. Section E, Structure reports online |
| 16568964 | 2006-04-05 | Zn(tbip) (H2tbip= 5-tert-butyl isophthalic acid): a highly stable guest-free microporous metal organic framework with unique gas separation capability | Journal of the American Chemical Society |
