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Methyl 2-(3-bromophenyl)propanoate is a chemical compound with the molecular formula C11H13BrO2. It is an ester with a methyl group attached to the carbon atom of the carboxyl group. This colorless to pale yellow liquid possesses a fruity odor and is soluble in organic solvents such as ethanol and ether. Its structural and functional properties make it a promising candidate for various applications in the fields of organic synthesis, pharmaceuticals, agrochemicals, and flavors.

80622-53-3

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80622-53-3 Usage

Uses

Used in Organic Synthesis:
Methyl 2-(3-bromophenyl)propanoate is used as a reagent and intermediate in organic synthesis for the production of various compounds. Its unique structure allows it to participate in a range of chemical reactions, making it a versatile component in the synthesis of complex organic molecules.
Used in Pharmaceutical Industry:
Methyl 2-(3-bromophenyl)propanoate is used as a building block in the development of pharmaceuticals. Its structural properties enable it to be incorporated into the design of new drugs, potentially leading to the discovery of novel therapeutic agents.
Used in Agrochemical Industry:
In the agrochemical industry, Methyl 2-(3-bromophenyl)propanoate is utilized as an intermediate in the synthesis of various agrochemicals. Its application contributes to the development of new pesticides, herbicides, and other agricultural chemicals that can improve crop yields and protect plants from pests.
Used in Flavor Industry:
Methyl 2-(3-bromophenyl)propanoate is used as a flavoring agent in the food and beverage industry. Its fruity odor makes it a valuable component in the creation of artificial flavors for a variety of products.
Used in Medicinal Chemistry:
Due to its structural and functional properties, Methyl 2-(3-bromophenyl)propanoate has potential applications in the field of medicinal chemistry. It can be used as a starting material or a modifier in the design and synthesis of new pharmaceutical compounds, potentially leading to advancements in drug discovery and development.

Check Digit Verification of cas no

The CAS Registry Mumber 80622-53-3 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 8,0,6,2 and 2 respectively; the second part has 2 digits, 5 and 3 respectively.
Calculate Digit Verification of CAS Registry Number 80622-53:
(7*8)+(6*0)+(5*6)+(4*2)+(3*2)+(2*5)+(1*3)=113
113 % 10 = 3
So 80622-53-3 is a valid CAS Registry Number.

80622-53-3SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name methyl 2-(3-bromophenyl)propanoate

1.2 Other means of identification

Product number -
Other names -

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:80622-53-3 SDS

80622-53-3Relevant academic research and scientific papers

COMPOUNDS AND USES THEREOF

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Page/Page column 208, (2021/08/06)

The present disclosure features compounds useful for the treatment of BAF complex-related disorders.

Pyridineacetamide derivative serving as CDK inhibitor, and preparation method and application thereof

-

Paragraph 0235-0240, (2021/07/28)

The invention belongs to the technical field of pyridineacetamide derivatives, and particularly relates to a pyridineacetamide derivative serving as a CDK inhibitor and a preparation method and application of the pyridine acetamide derivative. The pyridineacetamide derivative shows excellent CDK9/CDK7 enzyme inhibitory activity, and can be used for preparing drugs used for treating cancers, especially hematologic cancers including acute myeloid leukemia, multiple myeloma, chronic lymphocytic leukemia, follicular lymphoma and the like and solid tumors such as breast cancer, prostate cancer, ovarian cancer, hepatocellular carcinoma, pancreatic cancer, kidney cancer, stomach cancer, colorectal cancer, lung cancer and the like.

Preparation method of ibuprofen impurity A

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Paragraph 0033-0035, (2018/12/02)

The invention discloses a preparation method of an ibuprofen impurity A (shown as a formula I). According to the preparation method, 3-methyl bromophenylacetate is used as a raw material and methyl onhydrogen is removed through alkali; then Suzuki reaction is carried out and the raw material is coupled with isobutaneboronic acid to generate 2-(3-isobutyl phenyl)methyl propionate; finally, the 2-(3-isobutyl phenyl)methyl propionate is hydrolyzed and neutralized to obtain the ibuprofen impurity A. The preparation method disclosed by the invention has the advantages that the raw material is cheap and easy to obtain, synthesis steps are simple, reaction conditions are moderate and the post-treatment is simple; a technology is stable and has good repeatability, so that the production cost isgreatly reduced, and commercial production and batch supply are facilitated.

Photochemical intramolecular amination for the synthesis of heterocycles

Parisien-Collette, Shawn,Cruché, Corentin,Abel-Snape, Xavier,Collins, Shawn K.

supporting information, p. 4798 - 4803 (2017/10/23)

Polycyclic heterocycles can be formed in good to excellent yields via photochemical conversion of the corresponding substituted aryl azides under irradiation with purple LEDs in a continuous flow reactor. The experimental set-up is tolerant to UV-sensitive functional groups while affording diverse carbazoles, as well as an indole and pyrrole framework, in short reaction times. The photochemical method is presumed to progress through a mechanism differing from the other methods of azide activation involving transition metal catalysis.

Stereoselective Ketone Rearrangements with Hypervalent Iodine Reagents

Malmedy, Florence,Wirth, Thomas

supporting information, p. 16072 - 16077 (2016/10/30)

The first stereoselective version of an iodine(III)-mediated rearrangement of arylketones in the presence of orthoesters is described. The reaction products, α-arylated esters, are very useful intermediates in the synthesis of bioactive compounds such as ibuprofen. With chiral lactic acid-based iodine(III) reagents product selectivities of up to 73 % ee have been achieved.

A Convenient Ruthenium-Catalysed α-Methylation of Carbonyl Compounds using Methanol

Dang, Tuan Thanh,Seayad, Abdul Majeed

supporting information, p. 3373 - 3380 (2016/11/13)

An efficient ruthenium catalyst is reported, for the first time, to catalyse the α-methylation of ketones and esters using methanol as a green methylating agent. The in situ generated catalyst from the complexes [RuCp*Cl2]2or [RuCp*Cl2]nwith dpePhos provided up to quantitative yields in the presence of only 20 mol% of lithium tert-butoxide (LiO-t-Bu) as a base. Regioselective mono- or multi-methylation could be effectively controlled by temperature. This catalyst system was also effective for the one-pot sequential α-alkylation–α-methylation of methyl ketones and conjugate reduction–α-methylation of α,β-unsaturated ketones to synthesise α-branched ketones. An application of the α-methylation of esters using the ruthenium catalyst was demonstrated for an alternative catalytic synthesis of Ketoprofen. (Figure presented.).

HYDROXY FORMAMIDE DERIVATIVES AND THEIR USE

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Paragraph 0482; 0483, (2016/12/16)

Disclosed are compounds having the formula: wherein R1, R2 and R3 are as defined herein, and methods of making and using the same, including use as inhibitors of BMP1, TLL1 and/or TLL2 and in treatment of diseases associated with BMP1, TLL1 and/or TLL2 activity.

HYDROXY FORMAMIDE DERIVATIVES AND THEIR USE

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Page/Page column 95, (2015/07/23)

Disclosed are compounds having the formula (I): wherein R1, R2 and R3 are as defined herein, and methods of making and using the same, including use as inhibitors of BMP1, TLL1 and/or TLL2 and in treatment of diseases associated with BMP1, TLL1 and/or TLL2 activity.

Synthesis and biological evaluation of loxoprofen derivatives

Yamakawa, Naoki,Suemasu, Shintaro,Matoyama, Masaaki,Tanaka, Ken-Ichiro,Katsu, Takashi,Miyata, Keishi,Okamoto, Yoshinari,Otsuka, Masami,Mizushima, Tohru

experimental part, p. 3299 - 3311 (2011/07/08)

Non-steroidal anti-inflammatory drugs (NSAIDs) achieve their anti-inflammatory actions through an inhibitory effect on cyclooxygenase (COX). Two COX subtypes, COX-1 and COX-2, are responsible for the majority of COX activity at the gastrointestinal mucosa and in tissues with inflammation, respectively. We previously suggested that both gastric mucosal cell death due to the membrane permeabilization activity of NSAIDs and COX-inhibition at the gastric mucosa are involved in NSAID-induced gastric lesions. We have also reported that loxoprofen has the lowest membrane permeabilization activity among the NSAIDs we tested. In this study, we synthesized a series of loxoprofen derivatives and examined their membrane permeabilization activities and inhibitory effects on COX-1 and COX-2. Among these derivatives, 2-{4′-hydroxy-5-[(2-oxocyclopentyl)methyl]biphenyl-2-yl}propanoate 31 has a specificity for COX-2 over COX-1. Compared to loxoprofen, oral administration of 31 to rats produced fewer gastric lesions but showed an equivalent anti-inflammatory effect. These results suggest that 31 is likely to be a therapeutically beneficial and safer NSAID.

A Simple and Efficient Conversion of Aldehyde Acetals into Esters

Sugai, Saburo,Kodama, Takashi,Akaboshi, Sanya,Ikegami, Shiro

, p. 99 - 105 (2007/10/02)

The reaction of aldehydic acetals with hypochlorous acid in acetic acid-acetone afforded the corresponding esters in excellent yields.From cyclic acetals, only the corresponding hydroxyalkyl esters were obtained.Keywords - acetal; hypochlorite; hypochlorous acid; conversion; ester; hydroxyalkyl ester; regioselectivity

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