Cas no 900-91-4 (3,3,3-Triphenylpropionic acid)

3,3,3-Triphenylpropionic acid is a versatile organic compound with distinct structural features. It boasts a symmetrical triphenyl substituent, which enhances its solubility and stability. The compound's unique aromatic properties make it a valuable intermediate in organic synthesis, particularly for the preparation of biologically active molecules. Its ease of handling and compatibility with various reaction conditions contribute to its wide applicability in chemical research.
3,3,3-Triphenylpropionic acid structure
3,3,3-Triphenylpropionic acid structure
Product Name:3,3,3-Triphenylpropionic acid
CAS No:900-91-4
MF:C21H18O2
MW:302.366425991058
MDL:MFCD00002713
CID:40204
PubChem ID:87577316
Update Time:2025-06-25

3,3,3-Triphenylpropionic acid Chemical and Physical Properties

Names and Identifiers

    • 3,3,3-Triphenylpropionic acid
    • 3,3,3-triphenylpropanoic acid
    • Propionicacid, 3,3,3-triphenyl- (6CI,7CI,8CI)
    • NSC 131292
    • Tritylacetic acid
    • 3,3,3-triphenyl propanoic acid
    • XMSJLUKCGWQAHO-UHFFFAOYSA-N
    • AK323620
    • C21H18O2
    • 3, 3, 3-Triphenylpropionic acid
    • 2-tritylacetic acid
    • PubChem12502
    • 2-triphenylmethylacetic acid
    • 2-Triphenylmethyl acetic acid
    • 3,3 3-triphenyl propionic acid
    • 3,3,3-triphenyl propionic acid
    • 3,3,3-Triphenylpropanoic acid #
    • A
    • Propionic acid, 3,3,3-triphenyl- (6CI, 7CI, 8CI)
    • β,β-Diphenylbenzenepropanoic acid (ACI)
    • Benzenepropanoic acid, beta,beta-diphenyl-
    • T1558
    • DTXSID90237989
    • DTXCID90160480
    • CS-0156515
    • 3,3,3-Triphenylpropionic acid, 97%
    • NSC-131292
    • NSC131292
    • SY048719
    • 900-91-4
    • EN300-6503696
    • SR-01000393640-1
    • EU-0000699
    • Benzenepropanoic acid, .beta.,.beta.-diphenyl-
    • DB-021793
    • SCHEMBL503257
    • DS-12082
    • MFCD00002713
    • SR-01000393640
    • D70278
    • AKOS001572680
    • MDL: MFCD00002713
    • Inchi: 1S/C21H18O2/c22-20(23)16-21(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15H,16H2,(H,22,23)
    • InChI Key: XMSJLUKCGWQAHO-UHFFFAOYSA-N
    • SMILES: O=C(CC(C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1)O
    • BRN: 2057448

Computed Properties

  • Exact Mass: 302.13100
  • Monoisotopic Mass: 302.131
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 23
  • Rotatable Bond Count: 5
  • Complexity: 326
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 4.8
  • Topological Polar Surface Area: 37.3

Experimental Properties

  • Color/Form: Not determined
  • Density: 1.161
  • Melting Point: 179.0 to 183.0 deg-C
  • Boiling Point: 433.6°Cat760mmHg
  • Flash Point: 330.3°C
  • PSA: 37.30000
  • LogP: 4.49570
  • Solubility: Not determined

3,3,3-Triphenylpropionic acid Security Information

3,3,3-Triphenylpropionic acid Customs Data

  • HS CODE:2916399090
  • Customs Data:

    China Customs Code:

    2916399090

    Overview:

    2916399090 Other aromatic monocarboxylic acids. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to, Acrylic acid\Acrylates or esters shall be packaged clearly

    Summary:

    2916399090 other aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

3,3,3-Triphenylpropionic acid Pricemore >>

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3,3,3-Triphenylpropionic acid Production Method

Production Method 1

Reaction Conditions
1.1 heated
1.2 Reagents: Sodium hydroxide Solvents: Water
1.3 Reagents: Hydrochloric acid Solvents: Water
Reference
Molecular and supramolecular helicity induction in trityl group-containing compounds: The case of chiral 3,3,3-triphenylpropionic acid derivatives
Skowronek, Pawel; Czapik, Agnieszka; Rajska, Zuzanna; Kwit, Marcin, Tetrahedron, 2019, 75(33), 4497-4505

Production Method 2

Reaction Conditions
1.1 Solvents: Butyl ether
Reference
Phenyl migration during preparation of Grignard reagents
Grovenstein, Erling Jr.; Cottingham, Auburn B.; Gelbaum, Leslie T., Journal of Organic Chemistry, 1978, 43(17), 3332-4

Production Method 3

Reaction Conditions
1.1 Reagents: Butyllithium Solvents: Tetrahydrofuran ,  Hexane
1.2 -
Reference
Rearrangement of organometallic compounds. 25. Carbon-skeletal [1,2]anionic rearrangements and the π-orbital overlap constraint: the question of nucleophilic attack versus electron transfer
Eisch, John J.; Kovacs, Csaba A.; Chobe, Prabohd, Journal of Organic Chemistry, 1989, 54(6), 1275-84

Production Method 4

Reaction Conditions
1.1 Solvents: Acetic acid ,  Acetic anhydride ;  2 h, 110 °C
1.2 Reagents: Potassium hydroxide Solvents: Water ;  pH 10
Reference
Synthesis and Resolution of an Axially Chiral Spirocyclic Quaternary Ammonium Ion-Based Phase-Transfer Catalyst
Li, Shen; Zhou, Hui; List, Benjamin, Asian Journal of Organic Chemistry, 2023, 12(8),

Production Method 5

Reaction Conditions
1.1 3 h, 150 - 160 °C
Reference
The Origin of Anion-π Autocatalysis
Gutierrez Lopez, M. Angeles; Tan, Mei-Ling; Frontera, Antonio ; Matile, Stefan, JACS Au, 2023, 3(4), 1039-1051

Production Method 6

Reaction Conditions
1.1 Solvents: Nitromethane
Reference
Tritylation and detritylation of active methylene compounds. II. Tritylations by triphenylmethyl chloride
Patai, Saul; Dayagi, Shlomo; Freidlander, Ruth, Journal of the Chemical Society, 1962, 723, 723-6

Production Method 7

Reaction Conditions
Reference
Product class 1: ketene
Tidwell, T. T., Science of Synthesis, 2006, 23, 15-51

3,3,3-Triphenylpropionic acid Raw materials

3,3,3-Triphenylpropionic acid Preparation Products

3,3,3-Triphenylpropionic acid Suppliers

Amadis Chemical Company Limited
Gold Member
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(CAS:900-91-4)3,3,3-Triphenylpropionic acid
Order Number:A843442
Stock Status:in Stock
Quantity:100g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 06:59
Price ($):158.0
Suzhou Senfeida Chemical Co., Ltd
Gold Member
Audited Supplier Audited Supplier
(CAS:900-91-4)3,3,3-Triphenylpropionic acid
Order Number:sfd3431
Stock Status:in Stock
Quantity:200kg
Purity:99.9%
Pricing Information Last Updated:Friday, 19 July 2024 14:33
Price ($):discuss personally

Additional information on 3,3,3-Triphenylpropionic acid

Introduction to 3,3,3-Triphenylpropionic acid (CAS No. 900-91-4) and Its Applications in Modern Chemical and Biomedical Research

3,3,3-Triphenylpropionic acid, identified by the Chemical Abstracts Service Number (CAS No.) 900-91-4, is a significant compound in the realm of organic chemistry and pharmaceutical research. This triphenyl-substituted propionic acid has garnered considerable attention due to its unique structural properties and versatile applications. The compound's molecular structure, characterized by a central propionic acid moiety flanked by three phenyl groups, imparts distinct chemical reactivity and functional potential that make it invaluable in synthetic chemistry, material science, and biomedical investigations.

The synthesis of 3,3,3-Triphenylpropionic acid typically involves the reaction of benzophenone with acrylic acid or its derivatives under controlled conditions. This process highlights the compound's role as a building block in more complex molecular architectures. The presence of multiple phenyl groups enhances its solubility in organic solvents while also contributing to its stability and resistance to degradation, making it a preferred choice for long-term storage and repeated use in laboratory settings.

In recent years, 3,3,3-Triphenylpropionic acid has found applications in the development of novel biomaterials and drug intermediates. Its ability to act as a chiral auxiliary in asymmetric synthesis has been particularly noteworthy. Researchers have leveraged its structural features to design molecules with enhanced binding affinity and selectivity, which is crucial for the development of targeted therapeutics. For instance, derivatives of this compound have been explored as potential ligands in enzyme inhibition studies, demonstrating promising results in modulating metabolic pathways relevant to neurological disorders.

The compound's utility extends beyond pharmaceuticals into the realm of advanced materials. In polymer science, 3,3,3-Triphenylpropionic acid has been incorporated into high-performance resins and coatings due to its contribution to thermal stability and mechanical strength. Recent studies have also highlighted its role in the development of conductive polymers, where its aromatic structure facilitates electron delocalization—a key property for applications in organic electronics.

One of the most intriguing aspects of 3,3,3-Triphenylpropionic acid is its potential in biomedicine as a precursor for bioactive molecules. Researchers have synthesized analogs of this compound that exhibit anti-inflammatory and antioxidant properties. These derivatives have been tested in preclinical models for their efficacy in reducing oxidative stress and mitigating inflammation-related pathologies. The structural versatility of CAS No 900-91-4 allows for further modifications that could lead to the discovery of new therapeutic agents with improved pharmacokinetic profiles.

The chemical reactivity of 3,3,3-Triphenylpropionic acid also makes it a valuable tool in synthetic organic chemistry. Its carboxylic acid functionality enables it to participate in esterification reactions, while the phenyl groups provide sites for electrophilic aromatic substitution. This dual reactivity has been exploited in multi-step syntheses where CAS No 900-91-4 serves as an intermediate connecting disparate molecular fragments into larger functional systems.

From an industrial perspective, the production and utilization of CAS No 900-91-4 are optimized for scalability without compromising purity or yield. Advances in catalytic processes have enabled more efficient synthesis routes, reducing waste generation and energy consumption. These improvements align with broader trends toward sustainable chemistry practices within the pharmaceutical and chemical manufacturing sectors.

The future prospects for 3,3,3-Triphenylpropionic acid are bright given its broad applicability across multiple scientific disciplines. Ongoing research aims to uncover new derivatives with tailored properties for specific applications—such as photodynamic therapy agents or smart materials responsive to environmental stimuli. As computational methods advance, virtual screening techniques are being employed to accelerate the discovery process by predicting how modifications to CAS No 900-91-4 might enhance its utility.

In conclusion, 3,3,3-Triphenylpropionic acid (CAS No 900-91-4) stands as a cornerstone compound with far-reaching implications in modern science. Its unique combination of structural features enables diverse applications ranging from drug development to advanced material engineering. As research continues to evolve, 3-triphenylpropionic acid will undoubtedly play an increasingly pivotal role in addressing complex challenges across academia and industry alike.

Recommended suppliers
Amadis Chemical Company Limited
(CAS:900-91-4)3,3,3-Triphenylpropionic acid
A843442
Purity:99%
Quantity:100g
Price ($):158.0
Email
Suzhou Senfeida Chemical Co., Ltd
(CAS:900-91-4)3,3,3-Triphenylpropionic acid
sfd3431
Purity:99.9%
Quantity:200kg
Price ($):Inquiry
Email