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(4-Acetylphenyl)acetic acid, an organic compound within the acetophenone class, features a phenyl group with an acetate group at the second position and an acetic acid substituent on the phenyl ring. It is widely used in organic synthesis and serves as a crucial intermediate in the production of pharmaceuticals, dyes, and other chemicals. Due to its potential hazards, safety measures are essential when handling this compound.

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  • 7398-52-9 Structure
  • Basic information

    1. Product Name: (4-acetylphenyl)acetic acid
    2. Synonyms: (4-acetylphenyl)acetic acid;2-(4-Acetylphenyl)acetic acid
    3. CAS NO:7398-52-9
    4. Molecular Formula: C10H10O3
    5. Molecular Weight: 178.18
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 7398-52-9.mol
  • Chemical Properties

    1. Melting Point: 117℃
    2. Boiling Point: 356.51°C at 760 mmHg
    3. Flash Point: 183.601°C
    4. Appearance: /
    5. Density: 1.201g/cm3
    6. Vapor Pressure: 0mmHg at 25°C
    7. Refractive Index: 1.552
    8. Storage Temp.: 2-8°C
    9. Solubility: N/A
    10. CAS DataBase Reference: (4-acetylphenyl)acetic acid(CAS DataBase Reference)
    11. NIST Chemistry Reference: (4-acetylphenyl)acetic acid(7398-52-9)
    12. EPA Substance Registry System: (4-acetylphenyl)acetic acid(7398-52-9)
  • 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: 7398-52-9(Hazardous Substances Data)

7398-52-9 Usage

Uses

Used in Pharmaceutical Industry:
(4-Acetylphenyl)acetic acid is used as a synthetic intermediate for the production of various pharmaceuticals, contributing to the development of new drugs and medications.
Used in Dye Industry:
(4-Acetylphenyl)acetic acid is used as a chemical intermediate in the synthesis of dyes, playing a role in the creation of colorants for textiles, plastics, and other materials.
Used in Chemical Industry:
(4-Acetylphenyl)acetic acid is used as a building block in the synthesis of other chemicals, facilitating the production of a range of chemical products for various applications.

Check Digit Verification of cas no

The CAS Registry Mumber 7398-52-9 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 7,3,9 and 8 respectively; the second part has 2 digits, 5 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 7398-52:
(6*7)+(5*3)+(4*9)+(3*8)+(2*5)+(1*2)=129
129 % 10 = 9
So 7398-52-9 is a valid CAS Registry Number.
InChI:InChI=1/C10H10O3/c1-7(11)9-4-2-8(3-5-9)6-10(12)13/h2-5H,6H2,1H3,(H,12,13)

7398-52-9SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 13, 2017

Revision Date: Aug 13, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-(4-acetylphenyl)acetic acid

1.2 Other means of identification

Product number -
Other names Benzeneacetic acid,4-acetyl

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:7398-52-9 SDS

7398-52-9Relevant articles and documents

Non-natural amino acid and application thereof Recombinant protein and recombinant protein conjugate comprising same

-

Paragraph 0088; 0092; 0095, (2021/11/03)

The invention provides a non-natural amino acid. A compound represented by formula (I) or an enantiomer thereof. The invention also provides application of the non-natural amino acid. Further, the present invention also provides a protein conjugate comprising the recombinant protein and of the non-natural amino acid prepared from the recombinant protein. The non-natural amino acid provided by the invention is simple and convenient to prepare, good in safety, not prone to inactivation during protein insertion, high in conjugate rate with a coupling part, and higher in stability of the obtained conjugate.

PERIODONTAL DISEASE THERAPY

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Paragraph 0074; 0081; 0082, (2019/07/20)

Disclosed are formulations for oral films and other compositions containing therapeutic agents. The therapeutic agents interfere with succinate/succinate receptor signaling. The films and compositions of the present disclosure can be used to treat periodontal disease.

Palladium-Catalyzed Carboxylation of Benzyl Chlorides with Atmospheric Carbon Dioxide in Combination with Manganese/Magnesium Chloride

Zhang, Shuai,Chen, Wei-Qiang,Yu, Ao,He, Liang-Nian

, p. 3972 - 3977 (2016/01/26)

An efficient direct carboxylation of a series of benzyl chlorides with CO2 catalyzed by Pd(OAc)2/dicyclohexyl (2′,6′-dimethoxy-[1,1′-biphenyl]-2-yl)phosphine (SPhos) was developed to afford the corresponding phenylacetic acids in combination with Mn powder as a reducing reagent and MgCl2 as an indispensable additive. The reaction proceeded smoothly under 1 atm CO2. The application of Mn powder instead of a sensitive reducing reagent represents an operationally simple access to phenylacetic acids. Notably, MgCl2 is able to stabilize the (SPhos)2PdII(Bn)(Cl)(η1-CO2)(MgCl2) adduct and thus facilitates CO2 insertion into the PdII-C bond, which is supported by a DFT study. Specific effect: MgCl2 facilitates the direct insertion of CO2 into the PdII-C bond by stabilizing the PdII-CO2 adduct. With MgCl2 as an indispensable additive, the Pd-catalyzed carboxylation of various benzyl chlorides proceeded smoothly under 1 atm CO2, and the application of Mn powder instead of a sensitive reducing reagent makes this protocol an operationally simple access to phenylacetic acids.

Palladium-catalyzed silver-mediated α-arylation of acetic acid: A new approach for the α-arylation of carbonyl compounds

Wu, Guo-Jie,Guan, Jing,Han, Fu-She,Zhao, Yu-Long

, p. 1589 - 1593 (2014/06/24)

A new approach for the α-arylation of acetic acid through Pd-catalyzed silver-mediated direct C-H arylation of acetic acid with aryl iodides was developed. This protocol provided a straightforward method for the synthesis of a diverse set of α-phenylacetic acids. Palladium served on a silver platter: A new approach for the α-arylation of acetic acid through Pd-catalyzed silver-mediated direct C-H arylation of acetic acid with aryl iodides is presented. This protocol provides a straightforward method for the synthesis of a diverse set of α-phenylacetic acids. Deuteration experiments are performed to help elucidate the reaction mechanism.

Ni-catalyzed direct carboxylation of benzyl halides with CO2

León, Thierry,Correa, Arkaitz,Martin, Ruben

supporting information, p. 1221 - 1224 (2013/03/14)

A novel Ni-catalyzed carboxylation of benzyl halides with CO2 has been developed. The described carboxylation reaction proceeds under mild conditions (atmospheric CO2 pressure) at room temperature. Unlike other routes for similar means, our method does not require well-defined and sensitive organometallic reagents and thus is a user-friendly and operationally simple protocol for assembling phenylacetic acids.

PNA-based reagents for the direct and site-specific synthesis of thymine dimer lesions in genomic DNA

Pieck, J. Carsten,Kuch, David,Grolle, Friederike,Linne, Uwe,Haas, Clemens,Carell, Thomas

, p. 1404 - 1405 (2007/10/03)

An acetophenone containing PNA-based reagent was designed for the direct and site-specific synthesis of a cis-syn thymidine dimer lesion in genomic DNA. Copyright

Efficient photodecarboxylation of 3- and 4-acetylphenylacetic acids in aqueous solution

Huck, Lawrence A.,Xu, Musheng,Forest, Kaya,Wan, Peter

, p. 1760 - 1768 (2007/10/03)

The photochemistry of 3- and 4-acetylphenylacetic acids (6 and 7) has been studied in aqueous solution. This work is a continuation of research efforts aimed at understanding the structural effects on the efficacy for benzyl carbanion photogeneration via photodecarboxylation. The nitro group (at the 3- and 4-positions) is known to be an exceptionally good activating group on the benzene ring - because of its enhanced electron-withdrawing effect in the excited triplet state - for photodecarboxylation and the related photo-retro-aldol type process. It is shown in this work that the acetyl group is an equally good activating group for the photodecarboxylation. Thus, the photochemistry of 6 and 7 parallels much of what was observed for the corresponding nitrophenylacetic acids 1 and 2. Both 6 and 7 photodecarboxylate efficiently (Φd = 0.60 and 0.22, respectively, at pH 7) via the carboxylate form, to give observable (by laser flash photolysis) benzyl carbanion or related intermediates. The meta isomer 6 displays an acid-catalyzed pathway for photodecarboxylation at pH 3 and along with its enhanced overall reactivity, is consistent with a meta effect of the acetyl group. Triplet state reactivity is inferred from sensitization and laser flash photolysis experiments. Based on the results of this work, the acetyl group may now be viewed as an "enhanced" electron-withdrawing group (in the excited state) when attached to a benzene ring (i.e., in acetophenone derivatives) that is capable of inducing ionic reactions, which is not the traditional photochemistry that is expected from such compounds.

Efficient photodecarboxylation of aroyl-substituted phenylacetic acids in aqueous solution: A general photochemical reaction

Xu,Wan

, p. 2147 - 2148 (2007/10/03)

Photolysis (254-350 nm) of a variety of aroyl-substituted phenylacetic acids and p-acetylphenylacetic acid in aqueous solution at pH > pK(a) resulted in efficient photodecarboxylation (Φ = 0.2-0.7), to give in most cases a single product arising via the corresponding arylmethyl carbanion, indicating that photodecarboxylation is an efficient and general reaction for these types of compounds.

Enediyne derivatives useful for the synthesis of conjugates of methyltrithio antitumor agents

-

, (2008/06/13)

This invention describes carrier-drug conjugates prepared from disulfide analogs of the calicheamicin family of potent antitumor antibiotics and their derivatives, as well as similar analogs from related antitumor antibiotics such as the esperamicins. The carrier can be an antibody, growth factor, or steroid which targets an undesired population of cells, such as those of a tumor. Whole protein carriers as well as their antigen-recognizing fragments and their chemically or genetically manipulated counterparts are useful for the targeting portion of the conjugates. This invention includes compounds required for the synthesis of these conjugates, appropriate pharmaceutical compositions of the carrier-drug conjugates, and their method of use.

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