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methyl 3-(4-bromophenyl)propanoate is a chemical with a specific purpose. Lookchem provides you with multiple data and supplier information of this chemical.

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  • 75567-84-9 Structure
  • Basic information

    1. Product Name: methyl 3-(4-bromophenyl)propanoate
    2. Synonyms: methyl 3-(4-bromophenyl)propanoate;3-(4-Bromophenyl)propionic acid methyl ester;Methyl 3-(4-BroMophenyl)propionate;3-(4-broMophenyl)propionate;Benzenepropanoic acid, 4-broMo-, Methyl ester;ThebroMoMethyl propionate;4-bromobenzenepropanoic acid methyl ester
    3. CAS NO:75567-84-9
    4. Molecular Formula: C10H11BrO2
    5. Molecular Weight: 243.1
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 75567-84-9.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 92℃/0.4Torr
    3. Flash Point: 127.53 °C
    4. Appearance: Colorless to pale yellow/Solid
    5. Density: 1.39 g/cm3
    6. Vapor Pressure: 0.003mmHg at 25°C
    7. Refractive Index: 1.5360 to 1.5400
    8. Storage Temp.: Sealed in dry,Room Temperature
    9. Solubility: N/A
    10. CAS DataBase Reference: methyl 3-(4-bromophenyl)propanoate(CAS DataBase Reference)
    11. NIST Chemistry Reference: methyl 3-(4-bromophenyl)propanoate(75567-84-9)
    12. EPA Substance Registry System: methyl 3-(4-bromophenyl)propanoate(75567-84-9)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 75567-84-9(Hazardous Substances Data)

75567-84-9 Usage

Synthesis Reference(s)

Tetrahedron Letters, 30, p. 4709, 1989 DOI: 10.1016/S0040-4039(01)80781-4

Check Digit Verification of cas no

The CAS Registry Mumber 75567-84-9 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 7,5,5,6 and 7 respectively; the second part has 2 digits, 8 and 4 respectively.
Calculate Digit Verification of CAS Registry Number 75567-84:
(7*7)+(6*5)+(5*5)+(4*6)+(3*7)+(2*8)+(1*4)=169
169 % 10 = 9
So 75567-84-9 is a valid CAS Registry Number.
InChI:InChI=1/C10H11BrO2/c1-13-10(12)7-4-8-2-5-9(11)6-3-8/h2-3,5-6H,4,7H2,1H3

75567-84-9 Well-known Company Product Price

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  • Alfa Aesar

  • (H61546)  Methyl 3-(4-bromophenyl)propionate, 97%   

  • 75567-84-9

  • 5g

  • 976.0CNY

  • Detail
  • Alfa Aesar

  • (H61546)  Methyl 3-(4-bromophenyl)propionate, 97%   

  • 75567-84-9

  • 25g

  • 3884.0CNY

  • Detail

75567-84-9SDS

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 3-(4-bromophenyl)propanoate

1.2 Other means of identification

Product number -
Other names mpropanoate

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:75567-84-9 SDS

75567-84-9Relevant articles and documents

Preparation method of carboxylic ester compound

-

Paragraph 0060-0061, (2021/03/30)

The invention relates to a preparation method of a carboxylic ester compound, which comprises the following steps: reacting carboxylic acid with methanol in air under the catalysis of nitrite to obtain an ester compound, the preparation method disclosed by the invention has the advantages of rich raw material sources, cheap and easily available catalyst, mild reaction conditions, simplicity and convenience in operation and the like, a series of fatty carboxylic acids can be modified with high yield, and particularly, the traditional esterification method is generally not suitable for esterification of drug molecules. By utilizing the method, a series of known drug molecules can be modified, so that a shortcut is provided for discovering new drug molecules.

Green Esterification of Carboxylic Acids Promoted by tert-Butyl Nitrite

Cheng, Xionglve,Jiang, Gangzhong,Li, Xingxing,Tao, Suyan,Wan, Xiaobing,Zhao, Yanwei,Zheng, Yonggao

supporting information, p. 2713 - 2718 (2021/06/25)

In this work, the green esterification of carboxylic acids promoted by tert-butyl nitrite has been well developed. This transformation is compatible with a broad range of substrates and exhibits excellent functional group tolerance. Various drugs and substituted amino acids are applicable to this reaction under near neutral conditions, with good to excellent yields.

Manganese-catalyzed homogeneous hydrogenation of ketones and conjugate reduction of α,β-unsaturated carboxylic acid derivatives: A chemoselective, robust, and phosphine-free in situ-protocol

Topf, Christoph,Vielhaber, Thomas

, (2021/07/10)

We communicate a user-friendly and glove-box-free catalytic protocol for the manganese-catalyzed hydrogenation of ketones and conjugated C[dbnd]C[sbnd]bonds of esters and nitriles. The respective catalyst is readily assembled in situ from the privileged [Mn(CO)5Br] precursor and cheap 2-picolylamine. The catalytic transformations were performed in the presence of t-BuOK whereby the corresponding hydrogenation products were obtained in good to excellent yields. The described system offers a brisk and atom-efficient access to both secondary alcohols and saturated esters avoiding the use of oxygen-sensitive and expensive phosphine-based ligands.

SNP discrimination by tolane-modified peptide nucleic acids: Application for the detection of drug resistance in pathogens

Ebara, Yasuhito,Hayashi, Tenko,Hori, Sakiko,Kaihatsu, Kunihiro,Kato, Nobuo,Ogata, Katsuya,Okazaki, Miku,Sawada, Shinjiro,Takagi, Kenji

supporting information, (2020/02/26)

During the treatment of viral or bacterial infections, it is important to evaluate any resistance to the therapeutic agents used. An amino acid substitution arising from a single base mutation in a particular gene often causes drug resistance in pathogens. Therefore, molecular tools that discriminate a single base mismatch in the target sequence are required for achieving therapeutic success. Here, we synthesized peptide nucleic acids (PNAs) derivatized with tolane via an amide linkage at the N-terminus and succeeded in improving the sequence specificity, even with a mismatched base pair located near the terminal region of the duplex. We assessed the sequence specificities of the tolane-PNAs for single-strand DNA and RNA by UV-melting temperature analysis, thermodynamic analysis, an in silico conformational search, and a gel mobility shift assay. As a result, all of the PNA-tolane derivatives stabilized duplex formation to the matched target sequence without inducing mismatch target binding. Among the different PNA-tolane derivatives, PNA that was modified with a naphthyl-type tolane could efficiently discriminate a mismatched base pair and be utilized for the detection of resistance to neuraminidase inhibitors of the influenza A/H1N1 virus. Therefore, our molecular tool can be used to discriminate single nucleotide polymorphisms that are related to drug resistance in pathogens.

Discovery of carboxyl-containing biaryl ureas as potent RORγt inverse agonists

Sun, Nannan,Huang, Yafei,Yu, Mingcheng,Zhao, Yunpeng,Chen, Ji-An,Zhu, Chenyu,Song, Meiqi,Guo, Huimin,Xie, Qiong,Wang, Yonghui

, (2020/07/21)

GSK805 (1) is a potent RORγt inverse agonist, but a drawback of 1 is its low solubility, leading to a limited absorption in high doses. We have explored detailed structure-activity relationship on the amide linker, biaryl and arylsulfonyl moieties of 1 trying to improve solubility while maintaining RORγt activity. As a result, a novel series of carboxyl-containing biaryl urea derivatives was discovered as potent RORγt inverse agonists with improved drug-like properties. Compound 3i showed potent RORγt inhibitory activity and subtype selectivity with an IC50 of 63.8 nM in RORγ FRET assay and 85 nM in cell-based RORγ-GAL4 promotor reporter assay. Reasonable inhibitory activity of 3i was also achieved in mouse Th17 cell differentiation assay (76percent inhibition at 0.3 μM). Moreover, 3i had greatly improved aqueous solubility at pH 7.4 compared to 1, exhibited decent mouse PK profile and demonstrated some in vivo efficacy in an imiquimod-induced psoriasis mice model.

A general platinum-catalyzed alkoxycarbonylation of olefins

Beller, Matthias,Dühren, Ricarda,Franke, Robert,Ge, Yao,Huang, Weiheng,Jackstell, Ralf,Liu, Jiawang,Neumann, Helfried,Schneider, Carolin,Yang, Ji

supporting information, p. 5235 - 5238 (2020/07/30)

Hydroxy- and alkoxycarbonylation reactions constitute important industrial processes in homogeneous catalysis. Nowadays, palladium complexes constitute state-of-the-art catalysts for these transformations. Herein, we report the first efficient platinum-catalysed alkoxycarbonylations of olefins including sterically hindered and functionalized ones. This atom-efficient catalytic transformation provides straightforward access to a variety of valuable esters in good to excellent yields and often with high selectivities. In kinetic experiments the activities of Pd- and Pt-based catalysts were compared. Even at low catalyst loading, Pt shows high catalytic activity.

Cobalt(II)-Catalyzed Alkoxycarbonylation of Aliphatic Amines via C-N Bond Activation

Li, Chong-Liang,Jiang, Xuan,Lu, Liang-Qiu,Xiao, Wen-Jing,Wu, Xiao-Feng

, p. 6919 - 6923 (2019/09/07)

The first cobalt-catalyzed deaminative alkoxycarbonylation reaction was described for the conversion of readily available primary alkyl amines to synthetically versatile esters with moderate to high yields. This transformation shows good functional group compatibility and can serve as a powerful tool for the modification of alkyl amine-containing complex natural products and drug molecules.

DIHYDROPYRIMIDINE COMPOUNDS AND USES THEREOF IN MEDICINE

-

Paragraph 00252, (2019/05/10)

Provided herein are a dihydropyrimidine compound and use as a medicament, especially application as a medicament used for treating and preventing hepatitis B. Specifically, provided herein is a compound having Formula (I) or (Ia), or a stereisomer, a tautomer, an N-oxide, a solvate, a metabolite, a pharmaceutically acceptable salt or a prodrug thereof, wherein the variables of the formulas are as defined in the specification. Also provided herein is use of the compound having Formula (I) or (Ia), or an enantiomer, a diastereoisomer, a tautomer, a hydrate, a solvate, or a pharmaceutically acceptable salt thereof as a medicament, especially use as a medicament for treating and preventing hepatitis B.

Dihydropyridine compound and application thereof to drugs

-

Paragraph 0618-0621, (2019/05/08)

The invention relates to a dihydropyridine compound and application of the dihydropyridine compound serving as a drug, in particular to application of the dihydropyridine compound serving as a drug for treating and preventing hepatitis B. Specifically, the invention relates to the compound shown as the general formula (I) or (Ia) (please see the specifications for the general formula (I) or (Ia))or stereoisomers, tautomer, a nitrogen oxide, solvate, metabolites and medically acceptable salt of the compound or a prodrug of the compound, wherein all variables are defined in the specification. The invention further relates to application of the compound shown as the general formula (I) or (Ia) or enantiomers, non-enantiomers, the tautomer, hydrates, the solvate or the medically acceptable salt of the compound serving as drugs, in particular to application of the compound or the enantiomers, the non-enantiomers, the tautomer, the hydrates, the solvate or the medically acceptable salt of the compound serving as the drugs for treating and preventing hepatitis B.

Triarylamine compound with dyhydroxyl active site and preparation method of triarylamine compound

-

Paragraph 0050-0051, (2018/09/11)

The invention relates to a preparation method of a triarylamine compound with a dyhydroxyl active site. The method includes the steps: esterification reaction; reduction reaction; hydroxyl protection;halogen amino-coupling reaction; dehydroxylation protec

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