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4-(TERT-BUTOXY)BENZOIC ACID, with the molecular formula C12H16O3, is a carboxylic acid derivative featuring a tert-butoxy group attached to the benzene ring. This white crystalline solid, characterized by a melting point of 151-154°C, exhibits sparing solubility in water but is soluble in most organic solvents. It serves as a versatile intermediate in the synthesis of pharmaceuticals, agrochemicals, and specialty chemicals.

13205-47-5

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13205-47-5 Usage

Uses

Used in Pharmaceutical Industry:
4-(TERT-BUTOXY)BENZOIC ACID is used as a key intermediate for the synthesis of various pharmaceutical compounds, contributing to the development of new drugs and therapeutic agents.
Used in Agrochemical Industry:
In the agrochemical sector, 4-(TERT-BUTOXY)BENZOIC ACID is utilized as an intermediate in the production of agrochemicals, aiding in the creation of effective pest control and crop protection solutions.
Used in Specialty Chemicals:
4-(TERT-BUTOXY)BENZOIC ACID is employed as a building block in the synthesis of specialty chemicals, including UV absorbers and rubber additives, enhancing the performance and properties of these materials in various applications.

Check Digit Verification of cas no

The CAS Registry Mumber 13205-47-5 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 1,3,2,0 and 5 respectively; the second part has 2 digits, 4 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 13205-47:
(7*1)+(6*3)+(5*2)+(4*0)+(3*5)+(2*4)+(1*7)=65
65 % 10 = 5
So 13205-47-5 is a valid CAS Registry Number.
InChI:InChI=1/C11H14O3/c1-11(2,3)14-9-6-4-8(5-7-9)10(12)13/h4-7H,1-3H3,(H,12,13)

13205-47-5SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 14, 2017

Revision Date: Aug 14, 2017

1.Identification

1.1 GHS Product identifier

Product name 4-tert-Butoxybenzoic acid

1.2 Other means of identification

Product number -
Other names 4-[(2-methylpropan-2-yl)oxy]benzoic acid

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:13205-47-5 SDS

13205-47-5Relevant academic research and scientific papers

Formation of a dinuclear copper(I) complex from the clostridium-derived antibiotic closthioamide

Kloss, Florian,Pidot, Sacha,Goerls, Helmar,Friedrich, Thorsten,Hertweck, Christian

, p. 10745 - 10748 (2013)

A metal chelator from the oxygen-free world: Multiple lines of experimental evidence show that closthioamide, the first antibiotic from a strictly anaerobic bacterium (Clostridium), is a selective copper(I) chelator. The geometry of the polythioamide comp

Synthesis of an oligomer ruthenium complex and its catalysis in the oxidation of alcohols

Zhang, Yuecheng,Huo, Wenge,Zhang, Hong-Yu,Zhao, Jiquan

, p. 47261 - 47270 (2017/10/19)

A ligand with both a terpyridine and a pyridine-2,6-dicarboxylate group (abbreviated as terpy-pydic) was designed and synthesized. This ligand reacted with [Ru(p-cymene)Cl2]2 to afford a novel oligomer ruthenium complex named as oligomer-Ru(terpy)(pydic) which was characterized thoroughly. Under the catalysis of this oligomer ruthenium complex, different sorts of secondary alcohols were oxidized to the corresponding kenones by the oxidant tert-butyl hydroperoxide. Besides, this catalyst can be readily recovered and recycled several times without a large loss of its efficiency.

Hemisynthesis, Antitumoral Effect, and Molecular Docking Studies of Ferutinin and Its Analogues

Safi, Rmi,Rodriguez, Frderic,Hilal, Georges,Diab-Assaf, Mona,Diab, Youssef,El-Sabban, Marwan,Najjar, Fadia,Delfourne, Evelyne

, p. 382 - 397 (2016/03/12)

The natural product ferutinin was shown to act as an agonist to estrogen receptor ERα and agonist/antagonist to ERβ featuring a weak antiproliferative activity toward breast cancer cells. To enhance this activity, ferutinin analogues were synthesized by e

PYRROLOPYRAZINE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS

-

Paragraph 0363; 0364, (2013/03/26)

The invention relates to pyrrolopyrazine-spirocyclic piperidine amide compounds useful as inhibitors of ion channels. The invention also provides pharmaceutically acceptable compositions comprising the compounds of the invention and methods of using the compositions in the treatment of various disorders.

Enzymatic removal of carboxyl protecting groups. 1. Cleavage of the tert-butyl moiety

Schmidt, Marlen,Barbayianni, Efrosini,Fotakopoulou, Irene,Hoehne, Matthias,Constantinou-Kokotou, Violetta,Bornscheuer, Uwe T.,Kokotos, George

, p. 3737 - 3740 (2007/10/03)

(Chemical Equation Presented) A recent discovery that a certain amino acid motif (GGG-(A)X-motif) in lipases and esterases determines their activity toward tertiary alcohols prompted us to investigate the use of these biocatalysts in the mild and selective removal of tert-butyl protecting groups in amino acid derivatives and related compounds. An esterase from Bacillus subtilis (BsubpNBE) and lipase A from Candida antarctica (CAL-A) were identified as the most active enzymes, which hydrolyzed a range of tert-butyl esters of protected amino acids (e.g., Boc-Tyr-OtBu, Z-GABA-OtBu, Fmoc-GABA-O tBu) in good to high yields and left Boc, Z, and Fmoc-protecting groups intact.

Montmorillonite clay: A novel reagent for the chemoselective hydrolysis of t-butyl esters

Yadav,Reddy, B. V. Subba,Rao, K. Sanjeeva,Harikishan

, p. 826 - 828 (2007/10/03)

A mild and highly selective hydrolysis of t-butyl esters has been achieved in high yields using montmorillonite KSF in refluxing acetonitrile. The method is compatible with a variety of protecting and functional groups such as BOC, Cbz, propargyl, allyl, benzyl, t-butyl ethers, allyl, methyl and benzyl esters present in the molecule.

Protection of phenols as t-butyl ethers under mild conditions

Bandgar,Kasture

, p. 252 - 253 (2007/10/03)

Zinc mediated selective O-y-butylation of phenols has been carried out in good to excellent yields under mild conditions. No trace of C-t-butylation was observed.

Thiadiazoleamide derivative and anti-ulcer drug

-

, (2008/06/13)

A thiadiazoleamide derivative or a salt thereof expressed by the following Formula 1: STR1 wherein each of R1 and R2 represents a hydrogen atom, a lower alkyl group, a lower alkoxy group, a lower alkylamino group or an alkenyloxy gro

Benzoic acid derivatives as antidiabetic agents

-

, (2008/06/13)

Compound of the formula STR1 where R is CH3 (CH2)m, A and B are hydrogen, a bond or --(CH2)n, X is STR2 m is 0, 1 , 2 or 3, n is 1 , 2, or 3, R1 is hydrogen or lower alkyl, and Y is --OH, -

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