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Phenyl butyrate, a chemical compound consisting of a phenyl group and a butyric acid group, is a derivative of butyric acid. It is recognized for its ability to aid in the removal of excess ammonia from the body, making it a valuable treatment for urea cycle disorders. Furthermore, its potential anti-cancer properties have garnered attention, with studies indicating its efficacy in inhibiting the growth of cancer cells. Phenyl butyrate's diverse pharmacological properties make it a versatile chemical with broad applications in the medical field.

4346-18-3

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4346-18-3 Usage

Uses

Used in Genetic Metabolic Disorders Treatment:
Phenyl butyrate is used as a therapeutic agent for urea cycle disorders, which are genetic metabolic disorders that impair the body's capacity to metabolize ammonia. It facilitates the elimination of excess ammonia, thereby managing the symptoms associated with these conditions.
Used in Pharmaceutical Industry:
Phenyl butyrate is used as a medication in the pharmaceutical industry, primarily for the oral treatment of urea cycle disorders. Its ability to remove ammonia from the body makes it a crucial component in managing the symptoms and improving the quality of life for patients with these genetic disorders.
Used in Cancer Research and Treatment:
Phenyl butyrate is used as a potential anti-cancer agent in cancer research and treatment. Its demonstrated ability to inhibit the growth of cancer cells has positioned it as a promising candidate for further investigation and development in oncology. Phenyl butyrate's potential to target and impede cancer cell proliferation offers new avenues for cancer therapy and management.

Check Digit Verification of cas no

The CAS Registry Mumber 4346-18-3 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 4,3,4 and 6 respectively; the second part has 2 digits, 1 and 8 respectively.
Calculate Digit Verification of CAS Registry Number 4346-18:
(6*4)+(5*3)+(4*4)+(3*6)+(2*1)+(1*8)=83
83 % 10 = 3
So 4346-18-3 is a valid CAS Registry Number.
InChI:InChI=1/C10H12O2/c1-2-6-10(11)12-9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3

4346-18-3SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name phenyl butanoate

1.2 Other means of identification

Product number -
Other names Buttersaeure-phenylester

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only. Flavouring Agent: FLAVOURING_AGENT
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:4346-18-3 SDS

4346-18-3Relevant academic research and scientific papers

Cobalt-Catalyzed Radical Hydroamination of Alkenes with N-Fluorobenzenesulfonimides

Lv, Guowei,Meng, Qi,Qin, Tao,Xiong, Tao,Zhang, Ge,Zhang, Qian

supporting information, p. 25949 - 25957 (2021/11/01)

An efficient and general radical hydroamination of alkenes using Co(salen) as catalyst, N-fluorobenzenesulfonimide (NFSI) and its analogues as both nitrogen source and oxidant was successfully disclosed. A variety of alkenes, including aliphatic alkenes, styrenes, α, β-unsaturated esters, amides, acids, as well as enones, were all compatible to provide desired amination products. Mechanistic experiments suggest that the reaction underwent a metal-hydride-mediated hydrogen atom transfer (HAT) with alkene, followed by a pivotal catalyst controlled SN2-like pathway between in situ generated organocobalt(IV) species and nitrogen-based nucleophiles. Moreover, by virtue of modified chiral cobalt(II)-salen catalyst, an unprecedented asymmetric version was also achieved with good to excellent level of enantiocontrol. This novel asymmetric radical C?N bond construction opens a new door for the challenging asymmetric radical hydrofunctionalization.

Mechanically induced solvent-free esterification method at room temperature

Zheng, Lei,Sun, Chen,Xu, Wenhao,Dushkin, Alexandr V.,Polyakov, Nikolay,Su, Weike,Yu, Jingbo

, p. 5080 - 5085 (2021/02/05)

Herein, we describe two novel strategies for the synthesis of esters, as achieved under high-speed ball-milling (HSBM) conditions at room temperature. In the presence of I2 and KH2PO2, the reactions afford the desired esterification derivatives in 45% to 91% yields within 20 min of grinding. Meanwhile, using KI and P(OEt)3, esterification products can be obtained in 24% to 85% yields after 60 min of grinding. In addition, the I2/KH2PO2 protocol was successfully extended to the late-stage diversification of natural products showing the robustness of this useful approach. Further application of this method in the synthesis of inositol nicotinate was also discussed. This journal is

Activity and specificity studies of the new thermostable esterase EstDZ2

Myrtollari, Kamela,Katsoulakis, Nikolaos,Zarafeta, Dimitra,Pavlidis, Ioannis V.,Skretas, Georgios,Smonou, Ioulia

, (2020/09/16)

In this paper, we study the activity and specificity of EstDZ2, a new thermostable carboxyl esterase of unknown function, which was isolated from a metagenome library from a Russian hot spring. The biocatalytic reaction employing EstDZ2 proved to be an efficient method for the hydrolysis of aryl p-, o- or m-substituted esters of butyric acid and esters of secondary alcohols. Docking studies revealed structural features of the enzyme that led to activity differences among the different substrates.

Electrochemical Hydrogenation with Gaseous Ammonia

Li, Jin,He, Lingfeng,Liu, Xu,Cheng, Xu,Li, Guigen

supporting information, p. 1759 - 1763 (2019/01/16)

As a carbon-free and sustainable fuel, ammonia serves as high-energy-density hydrogen-storage material. It is important to develop new reactions able to utilize ammonia as a hydrogen source directly. Herein, we report an electrochemical hydrogenation of alkenes, alkynes, and ketones using ammonia as the hydrogen source and carbon electrodes. A variety of heterocycles and functional groups, including for example sulfide, benzyl, benzyl carbamate, and allyl carbamate were well tolerated. Fast stepwise electron transfer and proton transfer processes were proposed to account for the transformation.

Hydroxy-Directed Amidation of Carboxylic Acid Esters Using a Tantalum Alkoxide Catalyst

Tsuji, Hiroaki,Yamamoto, Hisashi

supporting information, p. 14218 - 14221 (2016/11/13)

We describe herein a new strategy for the chemoselective synthesis of amides by using a metal-catalyzed hydroxy-directed reaction. A hydroxy group located at the β-position of an ester group promoted the activation of a carbonyl group with a tantalum alkoxide catalyst followed by amidation reactions, leading to a wide variety of β-hydroxyamides with excellent chemeselectivity. The chemoselective amidation strategy can be extended to the catalytic synthesis of dipeptide derivatives, which remains challenging research subjects in modern organic synthesis.

The insertion of arynes into the O-H bond of aliphatic carboxylic acids

Wen, Chunxiao,Chen, Qian,He, Zhenwen,Yan, Xinxing,Zhang, Changyuan,Du, Zhiyun,Zhang, Kun

supporting information, p. 5470 - 5473 (2015/09/15)

The insertion of arynes into the O-H bond of aliphatic carboxylic acids promoted by sodium carboxylates is described. The reactions led to the formation of aryl carboxylates in good yields with good chemoselectivities under mild conditions.

A novel aromatic carbocation-based coupling reagent for esterification and amidation reactions

Nguyen, Thanh V.,Lyons, Demelza J.M.

supporting information, p. 3131 - 3134 (2015/06/17)

A novel tropylium-based coupling reagent has been developed to facilitate the synthesis of a series of esters, amides, lactones and peptides under mild reaction conditions. Remarkably, this reagent can be used in catalytic amounts in conjunction with a sacrificial reagent, offering a new and efficient method for nucleophilic coupling reactions of carboxylic acids.

Intermolecular C-O addition of carboxylic acids to arynes: Synthesis of o-hydroxyaryl ketones, xanthones, 4-chromanones, and flavones

Dubrovskiy, Anton V.,Larock, Richard C.

, p. 2789 - 2798 (2013/03/29)

An efficient and simple route to biologically and pharmaceutically important o-hydroxyaryl ketones, xanthones, 4-chromanones, and flavones has been developed utilizing readily available carboxylic acids and commercially available o-(trimethylsilyl)aryl tr

O-acylation of substituted phenols with various alkanoyl chlorides under phase-transfer catalyst conditions

Simion, Alina Marieta,Hashimoto, Iwao,Mitoma, Yoshiharu,Egashira, Naoyoshi,Simion, Cristian

experimental part, p. 921 - 931 (2012/02/01)

Esterification of several types of mono-and disubstituted phenols with various mono-and dialkanoyl chlorides was performed in phase-transfer catalysis conditions, using tetrabutylammonium chloride in a mixture of aqueous NaOH and dichloromethane. The process is particularly efficient (almost quantitative yields) as well as rapid (only 5 min reaction time, at a temperature of0°C). Taylor & Francis Group, LLC.

THERAPEUTIC FOR HEPATIC CANCER

-

, (2011/02/18)

A novel pharmaceutical composition for treating or preventing hepatocellular carcinoma and a method of treatment are provided. A pharmaceutical composition for treating or preventing liver cancer is obtained by combining a chemotherapeutic agent with an anti-glypican 3 antibody. Also disclosed is a pharmaceutical composition for treating or preventing liver cancer which comprises as an active ingredient an anti-glypican 3 antibody for use in combination with a chemotherapeutic agent, or which comprises as an active ingredient a chemotherapeutic agent for use in combination with an anti-glypican 3 antibody. Using the chemotherapeutic agent and the anti-glypican 3 antibody in combination yields better therapeutic effects than using the chemotherapeutic agent alone, and mitigates side effects that arise from liver cancer treatment with the chemotherapeutic agent.

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