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3-(2,5-Dimethoxyphenyl)propionic acid is a chemical compound characterized by the molecular formula C12H16O4. It is a propionic acid derivative featuring a phenyl ring with two methoxy groups attached, which endows it with potential biological activities. 3-(2,5-DIMETHOXYPHENYL)PROPIONIC ACID is recognized for its potential anti-inflammatory, analgesic, anticancer, and neuroprotective properties, positioning it as a promising candidate for pharmaceutical research and drug development.

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  • 10538-49-5 Structure
  • Basic information

    1. Product Name: 3-(2,5-DIMETHOXYPHENYL)PROPIONIC ACID
    2. Synonyms: 2,5-Dimethoxybenzenepropanoic acid;2,5-Dimethoxyhydrocinnamic acid;3-(2,5-DIMETHOXYPHENYL)PROPANOIC ACID;3-(2,5-DIMETHOXYPHENYL)PROPIONIC ACID;RARECHEM AQ A3 0004
    3. CAS NO:10538-49-5
    4. Molecular Formula: C11H14O4
    5. Molecular Weight: 210.23
    6. EINECS: N/A
    7. Product Categories: C11 to C12;Carbonyl Compounds;Carboxylic Acids
    8. Mol File: 10538-49-5.mol
  • Chemical Properties

    1. Melting Point: 66-69 °C(lit.)
    2. Boiling Point: 353℃
    3. Flash Point: 136℃
    4. Appearance: /solid
    5. Density: 1.159
    6. Vapor Pressure: 1.34E-05mmHg at 25°C
    7. Refractive Index: 1.522
    8. Storage Temp.: Sealed in dry,Room Temperature
    9. Solubility: N/A
    10. PKA: 4.73±0.10(Predicted)
    11. CAS DataBase Reference: 3-(2,5-DIMETHOXYPHENYL)PROPIONIC ACID(CAS DataBase Reference)
    12. NIST Chemistry Reference: 3-(2,5-DIMETHOXYPHENYL)PROPIONIC ACID(10538-49-5)
    13. EPA Substance Registry System: 3-(2,5-DIMETHOXYPHENYL)PROPIONIC ACID(10538-49-5)
  • Safety Data

    1. Hazard Codes: Xi
    2. Statements: N/A
    3. Safety Statements: 22-24/25
    4. WGK Germany: 3
    5. RTECS:
    6. TSCA: Yes
    7. HazardClass: IRRITANT
    8. PackingGroup: N/A
    9. Hazardous Substances Data: 10538-49-5(Hazardous Substances Data)

10538-49-5 Usage

Uses

Used in Pharmaceutical Research:
3-(2,5-Dimethoxyphenyl)propionic acid is utilized as a key intermediate in the synthesis of various pharmaceuticals due to its potential biological activities. Its unique structure allows it to be a valuable component in the development of novel drugs targeting a range of conditions.
Used in Organic Synthesis:
In the field of organic synthesis, 3-(2,5-Dimethoxyphenyl)propionic acid serves as a versatile building block for creating complex organic molecules. Its reactivity and functional groups make it suitable for a wide array of chemical reactions, contributing to the synthesis of new compounds with potential applications in various industries.
Used in Drug Development:
3-(2,5-Dimethoxyphenyl)propionic acid is used as a lead compound in drug development for its potential therapeutic effects. It is being studied for its anti-inflammatory and analgesic properties, which could lead to the creation of new treatments for pain and inflammation-related disorders.
Used in Anticancer Applications:
3-(2,5-Dimethoxyphenyl)propionic acid is explored as an anticancer agent, with research indicating its potential to target and inhibit the growth of cancer cells. Its unique structure may allow for the development of drugs that can effectively combat cancer while minimizing side effects.
Used in Neuroprotective Therapies:
Given its potential neuroprotective effects, 3-(2,5-Dimethoxyphenyl)propionic acid is being investigated for use in neuroprotective therapies. It may contribute to the development of treatments aimed at preserving neuronal function and reducing the impact of neurodegenerative diseases.

Check Digit Verification of cas no

The CAS Registry Mumber 10538-49-5 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 1,0,5,3 and 8 respectively; the second part has 2 digits, 4 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 10538-49:
(7*1)+(6*0)+(5*5)+(4*3)+(3*8)+(2*4)+(1*9)=85
85 % 10 = 5
So 10538-49-5 is a valid CAS Registry Number.
InChI:InChI=1/C11H14O4/c1-14-9-4-5-10(15-2)8(7-9)3-6-11(12)13/h4-5,7H,3,6H2,1-2H3,(H,12,13)

10538-49-5 Well-known Company Product Price

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  • (Code)Product description
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  • Alfa Aesar

  • (H33566)  3-(2,5-Dimethoxyphenyl)propionic acid, 96%   

  • 10538-49-5

  • 1g

  • 313.0CNY

  • Detail
  • Alfa Aesar

  • (H33566)  3-(2,5-Dimethoxyphenyl)propionic acid, 96%   

  • 10538-49-5

  • 5g

  • 1002.0CNY

  • Detail
  • Alfa Aesar

  • (H33566)  3-(2,5-Dimethoxyphenyl)propionic acid, 96%   

  • 10538-49-5

  • 25g

  • 4458.0CNY

  • Detail

10538-49-5SDS

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 3-(2,5-Dimethoxyphenyl)propionic acid

1.2 Other means of identification

Product number -
Other names 3-(2,5-Dimethoxyphenyl)Propionic Acid

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:10538-49-5 SDS

10538-49-5Relevant articles and documents

Chemoselective reduction of α,β-unsaturated carbonyl compounds in the presence of CuPd alloy nanoparticles decorated on mesoporous graphitic carbon nitride as highly efficient catalyst

Bayrak, Cetin,Menzek, Abdullah,Sevim, Melike

, (2021/12/09)

Herein, we reported reductions of acid, amide, ester and ketone groups with selectivity (>99%) by the catalytic transfer hydrogenation of with CuPd alloy nanoparticles (NPs) decorated on mesoporous graphitic carbon nitride (Cu50Pd50/mpg-C3N4) catalyst under mild conditions in a water/methanol mixture. CuPd alloy NPs were synthesized by the co-reduction of palladium (II) acetylacetonate and copper(II) acetylacetonate in oleylamine (OAm) solution by the reduction of morpholine-borane solution and then assembled on mpg-C3N4 via liquid phase self‐assembly method. The α, β-unsaturated carbonyl compounds were obtained from the condensation reaction of the benzaldehyde derivatives with acetone derivatives. Cu50Pd50/mpg-C3N4 nanocatalyst was characterized by TEM, XRD, XPS, BET and ICP‐MS. Cu50Pd50/mpg-C3N4 nanocatalyst is highly active catalyst for the reduction of various organic groups and converted to high yield and 99% selectivity. The superior Cu50Pd50/mpg-C3N4 nanocatalyst is highly efficient and reusable catalyst which is reuse after 5 cycle with 98% conversion.

Sesquiterpene lactone-cinnamic acid derivative and salt, pharmaceutical composition and application thereof

-

Paragraph 0118-0119, (2020/08/09)

The invention provides application of sesquiterpene lactone-cinnamic acid derivatives shown as a formula (I) and salts thereof in preparation of medicines for treating cancers and auxiliary medicinesfor treating cancers.

Synthesis and structure-activity relationship studies of parthenolide derivatives as potential anti-triple negative breast cancer agents

Ge, Weizhi,Hao, Xin,Han, Fangzhi,Liu, Zhongquan,Wang, Tianpeng,Wang, Mengmeng,Chen, Ning,Ding, Yahui,Chen, Yue,Zhang, Quan

, p. 445 - 469 (2019/02/12)

Triple-negative breast cancer (TNBC) is the most aggressive cancers with a high recurrence rate and rapidly acquired drug resistance among various breast cancer subtypes. There is no specific drug for treatment of TNBC. Discovery of therapeutic agents with unique modes of actions is urgently needed. In this study, a series of seventy parthenolide derivatives was designed, synthesized, and evaluated for their anti-TNBC activities. Compound 7d exhibited the most potent activity against different breast cancer cells with IC50 values ranging from 0.20 μM to 0.27 μM, which demonstrated 11.6- to 18.6-fold improvement comparing to that of the parent compound parthenolide with IC50 values of 2.68–4.63 μM. It is worth to note that 7d was more active than the positive control drug ADR. Moreover, compound 7d could induce apoptosis of SUM-159 cells through mitochondria pathway and cause G1 phase arrest of SUM-159 cells. These findings indicate that compound 7d deserves further studies as a lead compound for ultimate discovery of effective anti-TNBC drug.

Synthesis and rearrangement of cage [4.3.2]propellanes that contain a spiro linkage

Kotha, Sambasivarao,Cheekatla, Subba Rao,Mandal, Binita

, p. 4277 - 4282 (2018/08/28)

Rearranged cage ketones 6a and 6b are reported in eight linear synthetic steps from 2,5-dimethoxybenzaldehyde 9 without the use of protecting groups. In this regard, Diels–Alder reaction, [2+2]photocycloaddition and Lewis acid promoted rearrangement with BF3·OEt2 were used as key steps. Surprisingly, during the ring expansion process with Lewis acid, solvent in-corporation occurred. This rearrangement approach has provided difficult complex targets through non-obvious synthetic routes. The rearrangement process demonstrated here opens up a new synthetic strategy to interesting and unusual cage molecules.

SPIRO COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS

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Page/Page column 0260, (2015/11/09)

Disclosed are spiro compounds of formula (I), or stereomers, geometric isomers, tautomers, nitrogen oxides, hydrates, solvates, metabolites, pharmaceutically acceptable salts or prodrugs thereof. The compounds can be used to treat hepatitis C virus (HCV) infection or hepatitis C disease. Furthermore disclosed are pharmaceutical compositions containing the compounds and the method of using the compounds or pharmaceutical compositions in the treatment of HCV infection or hepatitis C disease.

SPIRO RING COMPOUND AS HEPATITIS C VIRUS (HCV) INHIBITOR AND USES THEREOF FIELD OF THE INVENTION

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Page/Page column 139; 140, (2014/06/23)

A compound of formula (I) or a stereoisomer, a geometric isomer. a tautomer, an N-oxide, a hydrate, a solvate, a metabolite, a pharmaceutically acceptable salt or a prodrug thereof is provided, which can be used for treating HCV infection or a HCV disorder. Also a pharmaceutical composition comprising the compound and the use of the compound and the pharmaceutical composition thereof are provided, which can also be used for treating HCV infection or a HCV disorder.

Synthesis and characterization of geminally dialkylsubstituted tetraindanotetraoxa[8]circulenes

Mejlsoe, Soren L.,Christensen, Jorn B.

, p. 1051 - 1057 (2014/08/05)

A synthetic methodology for the synthesis of 2,2-dialkyl-4,7-dimethoxy-2,3- dihydro-1H-inden-1-ones from 4,7-dimethoxy-2,3-dihydro-1H-inden-1-one has been developed, and some of these compounds were converted into the corresponding geminally dialkylsubstituted tetraindanotetraoxa[8]circulenes with the expectation of obtaining discotic liquid crystalline materials.

SYNTHESIS OF RIGIDLY LINKED TRIAD MOLECULES BASED ON OCTAALKYLPORPHYRIN, CAPABLE OF MULTISTEP ELECTRON TRANSFER

Gribkov, A.A.,Borovkov, V.V.,Evstigneeva, R.P.,Sakata, Y.

, p. 905 - 915 (2007/10/02)

We have designed and carried out the synthesis of triad model systems containing octaalkylporphyrin, benzoquinone, and trichlorobenzoquinone with an oxidation-reduction potential gradient in the molecule.The quinone moieties are fixed relative to the porphyrin using spirononane and methylene spacers.

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