2-[5-Methoxy-2-methyl-1-(3-phenylprop-2-enoyl)indol-3-yl]acetic acid

Base Information

• Chemical Name: 2-[5-Methoxy-2-methyl-1-(3-phenylprop-2-enoyl)indol-3-yl]acetic acid
• CAS No.: 20168-99-4
• Molecular Formula: C21H19 N O4
• Molecular Weight: 349.386
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID70878556
• Mol file: 20168-99-4.mol

Synonyms:DTXSID70878556

Chemical Property of 2-[5-Methoxy-2-methyl-1-(3-phenylprop-2-enoyl)indol-3-yl]acetic acid

Chemical Property:

• Vapor Pressure: 2.45E-10mmHg at 25°C
• Melting Point: 170-172°; mp 164-165°
• Refractive Index: 1.5614 (estimate)
• Boiling Point: 488°Cat760mmHg
• PKA: 4.00±0.30(Predicted)
• Flash Point: 248.9°C
• PSA: 68.53000
• Density: 1.19g/cm³
• LogP: 3.93900
• Water Solubility.: <1mg/L(25 oC)
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 349.13140809
• Heavy Atom Count: 26
• Complexity: 540

Purity/Quality:

99%, ^*data from raw suppliers

CINMETACIN 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C2=C(N1C(=O)C=CC3=CC=CC=C3)C=CC(=C2)OC)CC(=O)O
• Therapeutic Function: Antiinflammatory

Technology Process of 2-[5-Methoxy-2-methyl-1-(3-phenylprop-2-enoyl)indol-3-yl]acetic acid

There total 1 articles about 2-[5-Methoxy-2-methyl-1-(3-phenylprop-2-enoyl)indol-3-yl]acetic acid 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:

→ cinmetacine (20168-99-4)

Guidance literature:

Aus N-(p-Methoxy-phenyl)-N-cinnamoyl-hydrazin u. Laevulinsaeure;

DOI:10.1021/jm00301a050

Reference yield:

cinmetacine (20168-99-4) → 5-Methoxy-2-methylindole-3-acetic acid (2882-15-7) + cinnamate ion (4151-45-5)

Guidance literature:

With sodium hydroxide; In acetonitrile; at 25 ℃; Rate constant;

DOI:10.1002/jps.2600720928

Reference yield:

cinmetacine (20168-99-4) → 1-(3-Phenylpropionyl)-2-methyl-5-methoxy-3-indolessigsaeure (21604-99-9) + C12H13NO3*C4H12N(1+)*Cl(1-)

Guidance literature:

With tetramethlyammonium chloride; In ethanol; electrolysis at a controlled potential; mercury working electrode; graphite as the auxiliary electrode;

DOI:10.1007/BF01148386

Downstream raw materials:

5-Methoxy-2-methylindole-3-acetic acid

cinnamate ion

1-(3-Phenylpropionyl)-2-methyl-5-methoxy-3-indolessigsaeure

Refernces