Actarit

Base Information

• Chemical Name: Actarit
• CAS No.: 18699-02-0
• Molecular Formula: C10H11NO3
• Molecular Weight: 193.202
• Hs Code.: 29163990
• European Community (EC) Number: 242-511-3
• NSC Number: 170317
• UNII: HW5B6351RZ
• DSSTox Substance ID: DTXSID0020020
• Nikkaji Number: J70.929H
• Wikipedia: Actarit
• Wikidata: Q4676759
• NCI Thesaurus Code: C73298
• ChEMBL ID: CHEMBL1885632
• Mol file: 18699-02-0.mol

Synonyms:4-(acetylamino)benzeneacetic acid;4-acetylaminophenylacetic acid;Actarit;MS 932;MS-932

Chemical Property of Actarit

Chemical Property:

• Appearance/Colour: crystalline solid
• Vapor Pressure: 7.52E-09mmHg at 25°C
• Melting Point: 173-175 °C
• Refractive Index: 1.604
• Boiling Point: 449.1 °C at 760 mmHg
• PKA: 4.34±0.10(Predicted)
• Flash Point: 225.4 °C
• PSA: 66.40000
• Density: 1.288 g/cm³
• LogP: 1.34510
• Storage Temp.: -20°C
• Solubility.: DMSO, Ethanol, Methanol
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 193.07389321
• Heavy Atom Count: 14
• Complexity: 219

Purity/Quality:

99% ^*data from raw suppliers

Actarit ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)NC1=CC=C(C=C1)CC(=O)O
• Description: Actarit is an orally administered disease-modifying antirheumatic drug launched in Japan. Although its structure resembles that of non-steroidal anti-inflammatory drugs, it has no effect on experimental acute inflammation and has no analgesic or antipyretic effects. Its preventative and therapeutic effects on adjuvant arthritis are mediated via modulation of production and serum level of interleukin-2 which enhances production of suppressor T-cells to the immune system, thereby, preventing development of articular lesions.
• Uses: Antiarthritic Chronic rheumatoid arthritis

Technology Process of Actarit

There total 13 articles about Actarit which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 100.0%

4-aminophenylacetic acid (1197-55-3) + acetic acid (64-19-7,77671-22-8) → 4-acetamidophenylacetic acid (18699-02-0)

Guidance literature:

at 150 ℃; Microwave irradiation;

DOI:10.3390/molecules22010161

Reference yield: 99.0%

4-aminophenylacetic acid (1197-55-3) + acetic anhydride (108-24-7) → 4-acetamidophenylacetic acid (18699-02-0)

Guidance literature:

In methanol; dichloromethane; water; at 20 ℃; Cooling with ice;

Reference yield: 96.8%

→ 4-acetamidophenylacetic acid (18699-02-0) + 4-acetoxyacetanilide (2623-33-8)

Guidance literature:

upstream raw materials:

4-aminophenylacetic acid

acetic anhydride

4'-(4''-carboxybutyramido)phenyl 4-acetamidophenylacetate

[4-(2-{4-[2-(4-Acetylamino-phenyl)-acetoxy]-phenyl}-acetoxy)-phenyl]-acetic acid

Downstream raw materials:

2-(4-acetylaminophenyl)-indan-1,3-dione

N-benzyl-2-(4-aminophenyl)acetamide

(4-acetylamino-phenyl)-acetic acid 4-benzyloxycarbonylmethyl-phenyl ester

Refernces

• 1、 Urgin, Karène,Jida, Mouhamad,Ehrhardt, Katharina,Müller, Tobias,Lanzer, Michael,Maes, Louis,Elhabiri, Mourad,Davioud-Charvet, Elisabeth. "Pharmacomodulation of the antimalarial plasmodione: Synthesis of biaryl-and N-arylalkylamine analogues, antimalarial activities and physicochemical properties". . . Retrieved 2017/02/15.
• 2、 Miltsov, Sergey,Karavan, Vladimir,Misharev, Alexandr,Alonso-Chamarro, Julian,Puyol, Mar. "Boron trifluoride-methanol complex. Mild and powerful reagent for deprotection of acetylated amines. Scope and selectivity". supporting information. p. 641 - 644. Retrieved 2016/01/26.