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1-[4-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-cyclopropanecarboxylic acid methyl ester is a cyclopropanecarboxylic acid derivative with a molecular formula of C19H25BO3 and a molecular weight of 298.22 g/mol. It features a boronic ester functional group and is widely used as a building block in organic synthesis.

1396007-85-4

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1396007-85-4 Usage

Uses

Used in Pharmaceutical Industry:
1-[4-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-cyclopropanecarboxylic acid methyl ester is used as a valuable intermediate in the production of pharmaceuticals. Its unique structure and functional groups make it suitable for the synthesis of various drug molecules.
Used in Agrochemical Industry:
In the agrochemical industry, 1-[4-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-cyclopropanecarboxylic acid methyl ester is utilized as a key intermediate for the synthesis of agrochemicals, contributing to the development of effective and targeted pest control agents.
Used in Materials Science:
1-[4-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-cyclopropanecarboxylic acid methyl ester is employed in materials science as a building block for the development of novel materials with specific properties, such as high thermal stability, electrical conductivity, or optical characteristics.
Safety Precautions:
It is crucial to handle and store 1-[4-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-cyclopropanecarboxylic acid methyl ester with caution, as it may pose risks to human health and the environment if not properly managed. Appropriate safety measures, including the use of personal protective equipment and adherence to storage guidelines, should be followed to minimize potential hazards.

Check Digit Verification of cas no

The CAS Registry Mumber 1396007-85-4 includes 10 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 7 digits, 1,3,9,6,0,0 and 7 respectively; the second part has 2 digits, 8 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 1396007-85:
(9*1)+(8*3)+(7*9)+(6*6)+(5*0)+(4*0)+(3*7)+(2*8)+(1*5)=174
174 % 10 = 4
So 1396007-85-4 is a valid CAS Registry Number.

1396007-85-4SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 12, 2017

Revision Date: Aug 12, 2017

1.Identification

1.1 GHS Product identifier

Product name methyl 1-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)cyclopropanecarboxylate

1.2 Other means of identification

Product number -
Other names 1-[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-cyclopropanecarboxylic acid methyl ester

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:1396007-85-4 SDS

1396007-85-4Relevant academic research and scientific papers

Chemoselective Boronic Ester Synthesis by Controlled Speciation

Fyfe, James W. B.,Seath, Ciaran P.,Watson, Allan J. B.

, p. 12077 - 12080 (2014)

Control of boronic acid solution speciation is presented as a new strategy for the chemoselective synthesis of boronic esters. Manipulation of the solution equilibria within a cross-coupling milieu enables the formal homologation of aryl and alkenyl boron

Lysophosphatidic acid receptor antagonists and preparation method thereof

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Paragraph 0192-0193; 0197-0199, (2020/07/29)

The invention belongs to the technical field of medicinal chemistry, and particularly relates to lysophosphatidic acid receptor antagonists and a preparation method thereof. The applicant surprisinglyfinds that compounds provided by the invention have high LPAR1 antagonistic activity and selectivity, low toxicity, good metabolic stability and good drug development prospect, and can be used for preventing or treating diseases or symptoms related to LPAR1. The applicant also accidentally finds that the IC50 value of part of the compounds can be as low as 300 nM or below and even 50 nM or below.Moreover, the compounds disclosed by the invention have better safety, and the CC50 range of the compounds can reach 200 [mu]M or above. In addition, the compounds of the present invention have goodmetabolic stability in humans, rats, and mice, such excellent inhibitory activity being very desirable for their use as LPAR1 inhibitors in the above diseases or disorders. In addition, the preparation method of the compounds is simple, mild in reaction condition, high in product yield and suitable for industrial production.

LYSOPHOSPHATIDIC ACID RECEPTOR 1 (LPAR1) INHIBITOR COMPOUNDS

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Page/Page column 61; 62, (2019/03/17)

A compound of formula (I) or a pharmaceutical salt thereof, use, methods for its preparation are described.

HETEROCYCLIC COMPOUNDS USEFUL IN THE TREATMENT OF DISEASE

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Paragraph 0701, (2016/02/18)

Heterocyclic compounds are described that are lysophosphatidic acid receptor ligands that are useful in the treatment of lysophosphatidic acid receptor-dependent diseases and conditions, including but not limited to diseases involving fibrosis, such as fibrosis of the heart, kidney, liver and lung, and scleroderma; inflammatory diseases such as diabetic nephropathy and inflammatory bowel disease; ocular diseases such as diseases involving retinal degeneration; nerve diseases such as pruritus and pain. Non-limiting examples of those compounds include (RS)-3-Cyclopropyl-2-{4-[3-methyl-4((R)-1-phenyl-ethoxycarbonylamino)-isoxazol-5-yl]-benzyloxy}-propionic acid and (R)-1-(4′-{5-[1-(2-Chloro-phenyl)-ethoxycarbonylamino]-4-fluoro-pyrazol-1-yl}-2-fluoro-biphenyl-4-yl)-cyclopropanecarboxylic acid.

A modular synthesis of functionalised phenols enabled by controlled boron speciation

Molloy, John J.,Law, Robert P.,Fyfe, James W. B.,Seath, Ciaran P.,Hirst, David J.,Watson, Allan J. B.

supporting information, p. 3093 - 3102 (2015/04/27)

A modular synthesis of functionalised biaryl phenols from two boronic acid derivatives has been developed via one-pot Suzuki-Miyaura cross-coupling, chemoselective control of boron solution speciation to generate a reactive boronic ester in situ, and oxidation. The utility of this method has been further demonstrated by application in the synthesis of drug molecules and components of organic electronics, as well as within iterative cross-coupling.

NOVEL PYRIMIDINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION INCLUDING SAME AS AN ACTIVE INGREDIENT

-

Paragraph 0186; 0187; 0188, (2014/06/24)

The present invention relates to a compound represented by formula (I) for inhibiting the activity of diacylglycerol O-acyltransferase type 1 (DGAT1), and pharmaceutically acceptable salts thereof, and a pharmaceutical composition comprising same as an active ingredient. The compound of the present invention may be used effectively in the treatment or prevention of a disease or condition mediated by the activity of DGAT1 such as obesity, type II diabetes, dyslipidemia, metabolic syndrome, and the like, without any adverse effects: wherein A, B, X, and R5 to R7 are the same as defined in the specification.

NOVEL PYRIMIDINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION INCLUDING SAME AS AN ACTIVE INGREDIENT

-

Paragraph 0336-0339, (2014/06/24)

The present invention relates to a compound represented by formula (I) for inhibiting the activity of diacylglycerol O-acyltransferase type 1 (DGAT1), and pharmaceutically acceptable salts thereof, and a pharmaceutical composition comprising same as an active ingredient. The compound of the present invention may be used effectively in the treatment or prevention of a disease or condition mediated by the activity of DGAT1 such as obesity, type II diabetes, dyslipidemia, metabolic syndrome, and the like, without any adverse effects: wherein A, B, X, and R5 to R7 are the same as defined in the specification.

N-ARYLTRIAZOLE COMPOUNDS AS LPAR ANTAGONISTS

-

Page/Page column 28, (2014/01/09)

Provided herein are compounds of the formula (I): as well as pharmaceutically acceptable salts thereof, wherein the substituents are as those disclosed in the specification. These compounds, and the pharmaceutical compositions containing them, are useful for the treatment of inflammatory diseases and disorders such as, for example, pulmonary fibrosis

LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS

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Paragraph 0492, (2013/03/26)

Compounds, methods of making such compounds, pharmaceutical compositions and medicaments comprising such compounds, and methods of using such compounds to treat, prevent or diagnose diseases, disorders, or conditions associated with one or more of the lysophosphatidic acid receptors are provided.

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