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4-(3-chlorophenyl)butanoic acid, a derivative of butyric acid, is a chemical compound with the molecular formula C10H11ClO2. It features a 3-chlorophenyl group attached to the carbon chain and exists as a white crystalline solid. 4-(3-chlorophenyl)butanoicacid is insoluble in water and slightly soluble in organic solvents, making it a versatile building block in the synthesis of pharmaceuticals and agrochemicals. Its potential biological activities, such as anti-inflammatory and anti-cancer properties, further highlight its importance in the fields of medicine and agriculture.

22991-05-5

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22991-05-5 Usage

Uses

Used in Pharmaceutical Industry:
4-(3-chlorophenyl)butanoic acid is used as a chemical intermediate for the synthesis of various pharmaceuticals. Its unique structure allows it to be a key component in the development of new drugs, particularly those targeting inflammation and cancer.
Used in Agrochemical Industry:
In the agrochemical sector, 4-(3-chlorophenyl)butanoic acid serves as a precursor in the production of pesticides and other crop protection agents. Its role in these applications is crucial for enhancing crop yields and ensuring food security by protecting plants from pests and diseases.
Used in Research and Development:
4-(3-chlorophenyl)butanoic acid is utilized in research laboratories for studying its biological activities, such as anti-inflammatory and anti-cancer properties. This research is vital for understanding the compound's potential therapeutic applications and for developing new treatments for various diseases.
Used in Drug Delivery Systems:
4-(3-chlorophenyl)butanoicacid's potential for use in drug delivery systems is being explored to improve the efficacy and targeted delivery of pharmaceuticals. Its unique properties may allow for the development of innovative drug formulations that can enhance the therapeutic effects of medications while minimizing side effects.

Check Digit Verification of cas no

The CAS Registry Mumber 22991-05-5 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 2,2,9,9 and 1 respectively; the second part has 2 digits, 0 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 22991-05:
(7*2)+(6*2)+(5*9)+(4*9)+(3*1)+(2*0)+(1*5)=115
115 % 10 = 5
So 22991-05-5 is a valid CAS Registry Number.

22991-05-5SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-(3-chlorophenyl)butanoic acid

1.2 Other means of identification

Product number -
Other names Benzenebutanoic acid,3-chloro

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:22991-05-5 SDS

22991-05-5Relevant academic research and scientific papers

Ligand-Controlled Regiodivergence in Nickel-Catalyzed Hydroarylation and Hydroalkenylation of Alkenyl Carboxylic Acids**

Deng, Ruohan,Engle, Keary M.,Fu, Yue,Gao, Yang,Li, Zi-Qi,Liu, Peng,Tran, Van T.

supporting information, p. 23306 - 23312 (2020/10/19)

A nickel-catalyzed regiodivergent hydroarylation and hydroalkenylation of unactivated alkenyl carboxylic acids is reported, whereby the ligand environment around the metal center dictates the regiochemical outcome. Markovnikov hydrofunctionalization products are obtained under mild ligand-free conditions, with up to 99 % yield and >20:1 selectivity. Alternatively, anti-Markovnikov products can be accessed with a novel 4,4-disubstituted Pyrox ligand in excellent yield and >20:1 selectivity. Both electronic and steric effects on the ligand contribute to the high yield and selectivity. Mechanistic studies suggest a change in the turnover-limiting and selectivity-determining step induced by the optimal ligand. DFT calculations reveal that in the anti-Markovnikov pathway, repulsion between the ligand and the alkyl group is minimized (by virtue of it being 1° versus 2°) in the rate- and regioselectivity-determining transmetalation transition state.

Carbonylative Transformation of Allylarenes with CO Surrogates: Tunable Synthesis of 4-Arylbutanoic Acids, 2-Arylbutanoic Acids, and 4-Arylbutanals

Wu, Fu-Peng,Li, Da,Peng, Jin-Bao,Wu, Xiao-Feng

supporting information, p. 5699 - 5703 (2019/08/01)

In this Communication, procedures for the selective synthesis of 4-arylbutanoic acids, 2-arylbutanoic acids, and 4-arylbutanals from the same allylbenzenes have been developed. With formic acid or TFBen as the CO surrogate, reactions proceed selectively and effectively under carbon monoxide gas-free conditions.

Highly enantioselective [3+2] coupling of cyclic enamides with quinone monoimines promoted by a chiral phosphoric acid

Zhang, Minmin,Yu, Shuowen,Hu, Fangzhi,Liao, Yijun,Liao, Lihua,Xu, Xiaoying,Yuan, Weicheng,Zhang, Xiaomei

, p. 8757 - 8760 (2016/07/15)

Enantioselective [3+2] coupling of cyclic enamides with quinone monoimines was realised using a chiral phosphoric acid as a catalyst. This transformation allowed for the synthesis of highly enantioenriched polycyclic 2,3-dihydrobenzofurans (up to 99.9% ee). The absolute configuration of one product was determined by an X-ray crystal structural analysis. We also found a possible mechanism for this reaction.

Dual targeting of adenosine A2A receptors and monoamine oxidase B by 4H-3,1-benzothiazin-4-ones

St??el, Anne,Schlenk, Miriam,Hinz, Sonja,Küppers, Petra,Heer, Jag,Gütschow, Michael,Müller, Christa E.

, p. 4580 - 4596 (2013/07/19)

Blockade of A2A adenosine receptors (A2AARs) and inhibition of monoamine oxidase B (MAO-B) in the brain are considered attractive strategies for the treatment of neurodegenerative diseases such as Parkinson's disease (PD). In the present study, benzothiazinones, e.g., 2-(3-chlorophenoxy)- N-(4-oxo-4H-3,1-benzothiazin-2-yl)acetamide (13), were identified as a novel class of potent MAO-B inhibitors (IC50 human MAO-B: 1.63 nM). Benzothiazinones with large substituents in the 2-position, e.g., methoxycinnamoylamino, phenylbutyrylamino, or chlorobenzylpiperazinylbenzamido residues (14, 17, 27, and 28), showed high affinity and selectivity for A 2AARs (Ki human A2AAR: 39.5-69.5 nM). By optimizing benzothiazinones for both targets, the first potent, dual-acting A2AAR/MAO-B inhibitors with a nonxanthine structure were developed. The best derivative was N-(4-oxo-4H-3,1-benzothiazin-2-yl)-4-phenylbutanamide (17, Ki human A2A, 39.5 nM; IC50 human MAO-B, 34.9 nM; selective versus other AR subtypes and MAO-A), which inhibited A 2AAR-induced cAMP accumulation and showed competitive, reversible MAO-B inhibition. The new compounds may be useful tools for validating the A2AAR/MAO-B dual target approach in PD.

4,5-DIHYDRONAPHTHO [1,2-b] THIOPHENE DERIVATIVE

-

Page/Page column 13, (2010/11/08)

A 4,5-dihydronaphtho[1,2-b]thiophene derivative expressed by the formula: (wherein R1 is a C1 to C10 1-hydroxyalkyl group or a C1 to C10 acyl group, and R2 and R3 separately substitute in the 6-, 7-, 8-, or 9-positions, and are each independently a hydrogen atom, a halogen atom, a C1 to C10 alkyl group, a hydroxy group, a C1 to C10 alkoxy group, a C1 to C5 alkenyloxy group, a C1 to C5 alkynyloxy group, a benzyloxy group, or the like, provided that when R1 is an acyl group and R2 is a hydrogen atom, then R3 is neither a hydrogen atom nor an acetyl group), or a pharmaceutically acceptable salt thereof. This is a novel compound that is effective in reducing triglyceride levels in the liver and reducing blood glucose levels.

Dihydropyridazinones, pyridazinones and related compounds as fungicides

-

, (2008/06/13)

This invention relates to substituted dihydropyridazinones, pyridazinones and related compounds, of the formula STR1 wherein A, Q, D and R1 are as defined within, compositions containing these compounds and methods of controlling agricultural and mammalian fungal diseases.

Arthropodicidal pyrazolines, pyrazolidines and hydrazines

-

, (2008/06/13)

Arthropodicidal pyrazoline, pyrazolidine and hydrazine compounds, including all their geometric and stereoisomers, agriculturally suitable salts thereof and compositions containing them; and a method for controlling arthropods employing said compounds which are: STR1 wherein Q, X, X1, Y and G are as defined in the text.

N-sulfenylated pyrazolines, compositions and use

-

, (2008/06/13)

N-sulfenylated and N-acrylated pyrazoline arthropodicides, compositions containing them and methods for controlling arthropods by applying compounds of the invention to them or to their environment. The pyrazolines are selected from those of Formulae I to III wherein R1, R2, R3, Q, A, B, J, K, Y, m, n and p are as defined in the test: STR1

Insecticidal substituted indazoles

-

, (2008/06/13)

Certain substituted indazoles, including all geometric and stereoisomers thereof, agricultural compositions containing the indazoles and use of the indazoles as insecticides.

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