alpha-[4-Trifluoromethylphenyl]-2-aminocinnamic acid

Base Information

• Chemical Name: alpha-[4-Trifluoromethylphenyl]-2-aminocinnamic acid
• CAS No.: 35315-48-1
• Molecular Formula: C₁₆H₁₂F₃NO₂
• Molecular Weight: 307.272
• NSC Number: 137202

Synonyms:35315-48-1;.alpha.-[4-Trifluoromethylphenyl]-2-aminocinnamic acid;NHYMBIKPHLPWCU-LCYFTJDESA-N;NSC137202;NSC-137202;(2Z)-3-(2-Aminophenyl)-2-[4-(trifluoromethyl)phenyl]-2-propenoic acid #

Chemical Property of alpha-[4-Trifluoromethylphenyl]-2-aminocinnamic acid

Chemical Property:

• Vapor Pressure: 8.03E-07mmHg at 25°C
• Boiling Point: 391.2°Cat760mmHg
• Flash Point: 190.4°C
• Density: 1.378g/cm³
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 307.08201311
• Heavy Atom Count: 22
• Complexity: 426

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)C=C(C2=CC=C(C=C2)C(F)(F)F)C(=O)O)N
• Isomeric SMILES: C1=CC=C(C(=C1)/C=C(/C2=CC=C(C=C2)C(F)(F)F)\C(=O)O)N

Technology Process of alpha-[4-Trifluoromethylphenyl]-2-aminocinnamic acid

There total 2 articles about alpha-[4-Trifluoromethylphenyl]-2-aminocinnamic 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:

2-nitro-benzaldehyde (552-89-6) → 2-Amino-4-trifluormethyl-α-phenylzimtsaeure (35315-48-1)

Guidance literature:

Multi-step reaction with 2 steps

1: Et₃N / acetic anhydride

2: FeSO₄, aq. NH₃

With ammonium hydroxide; iron(II) sulfate; triethylamine; In acetic anhydride;

DOI:10.1021/jm00292a007

Reference yield:

2-Nitro-4'-trifluormethyl-α-phenylzimtsaeure (35318-44-6) → 2-Amino-4-trifluormethyl-α-phenylzimtsaeure (35315-48-1)

Guidance literature:

With ammonium hydroxide; iron(II) sulfate;

DOI:10.1021/jm00292a007

Reference yield:

2-Amino-4-trifluormethyl-α-phenylzimtsaeure (35315-48-1) → 6-Trifluormethyl-phenanthren-9-carbonsaeure (35315-62-9)

Guidance literature:

Multistep reaction; (i) isopentyl nitrite, HCl, EtOH, (ii) Cu, NaH₂PO₂, aq. H₂SO₄;

DOI:10.1021/jm00292a007

upstream raw materials:

2-Nitro-4'-trifluormethyl-α-phenylzimtsaeure

2-nitro-benzaldehyde

Downstream raw materials:

6-Trifluormethyl-phenanthren-9-carbonsaeure

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