5-TERT-BUTYLISOPHTHALIC ACID

Inquiry

Molecular Formula:

C12H14O4

Molecular Weight:

222.24

CAS Number:

2359-09-3

Catalog Number:

2359-09-3

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

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

222.08920892 g/mol

Monoisotopic Mass

222.08920892 g/mol

Topological Polar Surface Area

74.6Å²

Heavy Atom Count

Formal Charge

Complexity

268

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

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

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