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4-Pentanoyl-benzoic acid methyl ester, also known as ethyl 4-pentanoylbenzoate, is a chemical compound with the molecular formula C14H16O3. It is a versatile and valuable compound in the field of organic synthesis, commonly used as an important intermediate in the production of various pharmaceutical and industrial compounds due to its unique structural properties and ability to participate in a wide range of chemical reactions.

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  • 30611-21-3 Structure
  • Basic information

    1. Product Name: 4-PENTANOYL-BENZOIC ACID METHYL ESTER
    2. Synonyms: 4-PENTANOYL-BENZOIC ACID METHYL ESTER;4-(1-oxopentyl)benzoic acid Methyl ester;Methyl 4-pentanoylbenzoate
    3. CAS NO:30611-21-3
    4. Molecular Formula: C13H16O3
    5. Molecular Weight: 220.26434
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 30611-21-3.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 339.1±25.0 °C(Predicted)
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: 1.057±0.06 g/cm3(Predicted)
    6. Refractive Index: N/A
    7. Storage Temp.: Sealed in dry,Room Temperature
    8. Solubility: N/A
    9. CAS DataBase Reference: 4-PENTANOYL-BENZOIC ACID METHYL ESTER(CAS DataBase Reference)
    10. NIST Chemistry Reference: 4-PENTANOYL-BENZOIC ACID METHYL ESTER(30611-21-3)
    11. EPA Substance Registry System: 4-PENTANOYL-BENZOIC ACID METHYL ESTER(30611-21-3)
  • 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: 30611-21-3(Hazardous Substances Data)

30611-21-3 Usage

Uses

Used in Pharmaceutical Synthesis:
4-Pentanoyl-benzoic acid methyl ester is used as a key intermediate in the synthesis of pharmaceuticals for its unique structural properties that allow it to participate in various chemical reactions, contributing to the development of new drugs and medicinal compounds.
Used in Organic Compounds Production:
In the field of organic chemistry, 4-Pentanoyl-benzoic acid methyl ester serves as a building block for the production of a variety of organic compounds, leveraging its versatility to create diverse chemical entities for various applications.
Used in Chemical Research:
This ester is utilized in chemical research as a model compound to study and understand the behavior of ester groups and their reactivity in different chemical environments, furthering the knowledge in organic chemistry and its applications.

Check Digit Verification of cas no

The CAS Registry Mumber 30611-21-3 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 3,0,6,1 and 1 respectively; the second part has 2 digits, 2 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 30611-21:
(7*3)+(6*0)+(5*6)+(4*1)+(3*1)+(2*2)+(1*1)=63
63 % 10 = 3
So 30611-21-3 is a valid CAS Registry Number.

30611-21-3SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 13, 2017

Revision Date: Aug 13, 2017

1.Identification

1.1 GHS Product identifier

Product name methyl 4-pentanoylbenzoate

1.2 Other means of identification

Product number -
Other names 4-PENTANOYL-BENZOIC 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:30611-21-3 SDS

30611-21-3Downstream Products

30611-21-3Relevant articles and documents

Design, synthesis, and effects of novel phenylpyrimidines as glucagon receptor antagonists

Choi, Hojung,Lee, Chang-Yong,Park, Eun-Young,Lee, Kyoung Mee,Shin, Dongyun,Jun, Hee-Sook

, p. 5701 - 5710 (2018)

The hormone glucagon increases blood glucose levels through increasing hepatic glucose output. In diabetic patients, dysregulation of glucagon secretion contributes to hyperglycemia. Thus, the inhibition of glucagon receptor is one target for the treatment of hyperglycemia in type 2 diabetes. Here we designed and synthesized a series of small molecules based on phenylpyrimidine. Of these, the compound (R)-7a most significantly decreased the glucagon-induced cAMP production and glucagon-induced glucose production during in vitro and in vivo assays. In addition, (R)-7a showed good efficacy in glucagon challenge tests and lowered blood glucose levels in diabetic db/db mice. Our results suggest that the compound (R)-7a could be a potential glucose-lowering agent for treating type 2 diabetes.

A phenylpyrimidine derivatives, preparation method thereof, and pharmaceutical composition for use in preventing or treating Glucagon Receptor activity related diseases containing the same as an active ingredient

-

Paragraph 0207-0210, (2020/04/29)

The present invention relates to a phenylpyrimidine derivative, a method for manufacturing the same, and a pharmaceutical composition for preventing or treating glucagon receptor activity- related diseases. It is confirmed that the phenylpyrimidine deriva

Synthesis of Functionalized Ketones from Acid Chlorides and Organolithiums by Extremely Fast Micromixing

Nagaki, Aiichiro,Sasatsuki, Kengo,Ishiuchi, Satoshi,Miuchi, Nobuyuki,Takumi, Masahiro,Yoshida, Jun-ichi

supporting information, p. 4946 - 4950 (2019/03/21)

Synthesis of ketones containing various functional groups from acid chlorides bearing electrophilic functional groups and functionalized organolithiums was achieved using a flow microreactor system. Extremely fast mixing is important for high chemoselectivity.

AMIDE COMPOUNDS AND USE THEREOF

-

Page/Page column 73; 74, (2018/08/20)

Disclosed are compounds of formula (I) below and pharmaceutically acceptable salts thereof, in which each of variables R1, R2, L, and Z is defined herein. Also disclosed are methods for reducing the glycemic level and treating glucag

Rhodium-catalyzed allyl transfer from homoallyl alcohols to aldehydes via retro-allylation followed by isomerization into ketones

Takada, Yuko,Hayashi, Sayuri,Hirano, Koji,Yorimitsu, Hideki,Oshima, Koichiro

, p. 2515 - 2517 (2007/10/03)

Retro-allylation of homoallyl alcohol by rhodium catalysis occurs to generate allylrhodium species. This allylrhodium reacts with aldehydes to give the corresponding secondary alcohols in situ. Isomerization of these alcohols proceeds in the same pots to furnish the corresponding saturated ketones in good yields.

Deactivation of Triplet Phenyl Alkyl Ketones by Conjugatively Electron-Withdrawing Substituents

Wagner, Peter J.,Siebert, Elizabeth J.

, p. 7329 - 7335 (2007/10/02)

Para-cyano, -carbomethoxy, and -acyl substituents decrease the triplet reactivity of valerophenone (γ-hydrogen abstraction), whereas comparable meta substituents increase reactivity.Spectroscopic results are presented which indicate that para-(-R) substituents lower ?,?* triplet energies so much more than n,?* energies that the lowest triplets become largely ?,?* in nature.Meta-(-R) substituents do not stabilize ?,?* triplets enough to invert triplet levels.Both substitution patterns support a largely 1,4-biradical structure for the lowest ?,?* triplet of acylbenzenes.Ortho substituents show the usual steric anomalies: ortho cyano enhances valerophenone triplet reactivity by stabilizing the n,?* triplet; ortho carbomethoxy deactivates valerophenone by stabilizing the ?,?* triplet but not the n,?.*

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