20576-82-3

Basic information

• Product Name: 4-(TERT-BUTOXYCARBONYL)BENZOIC ACID
• Synonyms: mono-(tert-Butyl) terephthalate;tert-Butyl hydrogen terephthalate;tert-Butyl terephthalate;4-[(2-methylpropan-2-yl)oxycarbonyl]benzoic Acid;4-(TERT-BUTOXYCARBONYL)BENZOIC ACID;TEREPHALIC ACID MONO TERT-BUTYL ESTER;4-(tert-Butoxycarbonyl)benzoic acid, tert-Butyl 4-carboxybenzoate
• CAS NO: 20576-82-3
• Molecular Formula: C₁₂H₁₄O₄
• Molecular Weight: 222.24
• Mol File: 20576-82-3.mol
• Article Data: 16

Chemical Properties

• Melting Point: 209-212(dec.)
• Boiling Point: 351.814 °C at 760 mmHg
• Flash Point: 132.799 °C
• Appearance: /
• Density: 1.173 g/cm³
• Vapor Pressure: 1.49E-05mmHg at 25°C
• Refractive Index: 1.533
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility: DMSO (Slightly), Ethyl Acetate (Slightly). Methanol (Slightly)
• CAS DataBase Reference: 4-(TERT-BUTOXYCARBONYL)BENZOIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 4-(TERT-BUTOXYCARBONYL)BENZOIC ACID(20576-82-3)
• EPA Substance Registry System: 4-(TERT-BUTOXYCARBONYL)BENZOIC ACID(20576-82-3)

Safety Data

• Hazard Codes: Xi
• Hazardous Substances Data: 20576-82-3(Hazardous Substances Data)

Usage

Uses

Mono-tert-Butyl Terephthalate, is used in the synthesis of pyrrolidinone analogs acting as potential 20S proteasome inhibitors.

InChI:InChI=1/C12H14O4/c1-12(2,3)16-11(15)9-6-4-8(5-7-9)10(13)14/h4-7H,1-3H3,(H,13,14)

Upstream product

• 100-21-0 terephthalic acid 
• 24424-99-5 di-tert-butyl dicarbonate 
• 100-20-9 terephthaloyl chloride 
• 619-66-9 4-Carboxybenzaldehyde 
• 75-65-0 tert-butyl alcohol 
• 65874-27-3 4-(tert-butoxycarbonyl)benzaldehyde 
• 28313-42-0 di-tert-butyl terephthalate 

Downstream Products

• 313269-51-1 tert-butyl 4-[(2,4-diaminoquinazolin-6-yl)methoxycarbonyl]benzoate 
• 166977-31-7 4-[[(5,6-Dihydro-5,5-dimethyl-8-phenyl-2-naphthalenyl)oxy]carbonyl]benzoic acid, tert-butyl ester 
• 1307310-03-7 tert-butyl (2-(3-(2-cyclohexylethyl)phenyl)-2-oxoethyl)terephthalate 
• 1307310-06-0 C₂₄H₂₆N₂O₂ 
• 1307310-12-8 C₁₂H₁₅NO₃ 
• 1307310-15-1 C₂₄H₂₅NO₂S 
• 1307310-04-8 tert-butyl 4-(4-(3-(2-cyclohexylethyl)phenyl)-1H-imidazol-2-yl)benzoate 
• 1307310-05-9 (S)-1-(4-(4-(3-(2-cyclohexylethyl)phenyl)-1H-imidazol-2-yl)benzoyl)pyrrolidine-2-carbonitrile 
• 1307310-07-1 (S)-1-(4-(4-(3-(2-cyclohexylethyl)phenyl)-1H-imidazol-2-yl)benzoyl)pyrrolidine-2-carboximidamide hydrochloride 
• 1307310-08-2 4-(4-(3-(2-cyclohexylethyl)phenyl)oxazol-2-yl)benzoic acid 
• 1307310-09-3 (S)-1-(4-(4-(3-(2-cyclohexylethyl)phenyl)oxazol-2-yl)benzoyl)pyrrolidine-2-carbonitrile 
• 1307310-10-6 (S)-1-(4-(4-(3-(2-cyclohexylethyl)phenyl)oxazol-2-yl)benzoyl)pyrrolidine-2-carboximidamide hydrochloride 
• 1307310-11-7 tert-butyl 4-carbamothioylbenzoate 
• 1307310-13-9 tert-butyl 4-(4-(3-(2-cyclohexylethyl)phenyl)thiazol-2-yl)benzoate 

Relevant articles and documents

Unraveling the Self-Assembly Modes in Multicomponent Supramolecular Gels Using Single-Crystal X-ray Diffraction

The control and prediction of the self-assembly process in multicomponent supramolecular gels are challenging because the structure and properties rely mostly on the geometry and spatial arrangement of the building blocks. The understanding of noncovalent

Development of amidine-based sphingosine kinase 1 nanomolar inhibitors and reduction of sphingosine 1-phosphate in human leukemia cells

Sphingosine 1-phosphate (S1P) is a bioactive lipid that has been identified as an accelerant of cancer progression. The sphingosine kinases (SphKs) are the sole producers of S1P, and thus, SphK inhibitors may prove effective in cancer mitigation and chemosensitization. Of the two SphKs, SphK1 overexpression has been observed in a myriad of cancer cell lines and tissues and has been recognized as the presumptive target over that of the poorly characterized SphK2. Herein, we present the design and synthesis of amidine-based nanomolar SphK1 subtype-selective inhibitors. A homology model of SphK1, trained with this library of amidine inhibitors, was then used to predict the activity of additional, more potent, inhibitors. Lastly, select amidine inhibitors were validated in human leukemia U937 cells, where they significantly reduced endogenous S1P levels at nanomolar concentrations.

Creation of superior carboxyfluorescein dyes by blocking donor-excited photoinduced electron transfer

(Chemical Equation Presented) Carboxyfluoresceins are widely utilized as fluorescence labeling reagents, but we recently found that their emission intensity is markedly decreased after esterification. On the basis of our hypothesis that the fluorescence d