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
Canonical 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
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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