Amino[4-(trifluoromethoxy)phenyl]acetic acid

Base Information

• Chemical Name: Amino[4-(trifluoromethoxy)phenyl]acetic acid
• CAS No.: 261952-24-3
• Molecular Formula: C9H8 F3 N O3
• Molecular Weight: 235.163
• Hs Code.: 2922509090
• DSSTox Substance ID: DTXSID00380475
• Mol file: 261952-24-3.mol

Synonyms:261952-24-3;4-(Trifluoromethoxy)-DL-phenylglycine;amino[4-(trifluoromethoxy)phenyl]acetic acid;2-amino-2-[4-(trifluoromethoxy)phenyl]acetic Acid;2-amino-2-(4-(trifluoromethoxy)phenyl)acetic acid;2-Amino-2-(4-trifluoromethoxyphenyl)acetic acid;MFCD01631461;SCHEMBL952299;DTXSID00380475;AKOS000182106;AKOS016051377;AKOS032963169;AB09376;AB32928;AB32932;CS-W012894;HY-W012178;PS-11168;SY044827;FT-0676378;N10808;Amino{4-[(trifluoromethyl)oxy]phenyl}acetic acid;EN300-1229073;2-amino-2-(4-(trifluoromethoxy)phenyl)aceticacid;A924817;Benzeneacetic acid, |A-amino-4-(trifluoromethoxy)-;J-016318;Benzeneacetic acid, alpha-amino-4-(trifluoromethoxy)-

Chemical Property of Amino[4-(trifluoromethoxy)phenyl]acetic acid

Chemical Property:

• Vapor Pressure: 0.00076mmHg at 25°C
• Melting Point: ca 292℃ subl.
• Refractive Index: 1.506
• Boiling Point: 294°Cat760mmHg
• PKA: 1.74±0.10(Predicted)
• Flash Point: 131.6°C
• PSA: 72.55000
• Density: 1.454g/cm³
• LogP: 2.36990
• XLogP3: -0.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 3
• Exact Mass: 235.04562760
• Heavy Atom Count: 16
• Complexity: 249

Purity/Quality:

97% ^*data from raw suppliers

4-(Trifluoromethoxy)-DL-phenylglycine ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(C(=O)O)N)OC(F)(F)F

Technology Process of Amino[4-(trifluoromethoxy)phenyl]acetic acid

There total 4 articles about Amino[4-(trifluoromethoxy)phenyl]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:

potassium cyanide + p-trifluoromethoxybenzaldehyde (659-28-9) → 2-amino-2-(4-(trifluoromethoxy)phenyl)acetic acid (261952-24-3)

Guidance literature:

potassium cyanide; p-trifluoromethoxybenzaldehyde; With ammonium carbonate; In ethanol; water; at 50 - 60 ℃; for 3h;

With potassium hydroxide; In water; at 10 - 90 ℃; for 72h;

Reference yield:

C10H7F3N2O3 → 2-amino-2-(4-(trifluoromethoxy)phenyl)acetic acid (261952-24-3)

Guidance literature:

With potassium hydroxide; In water; at 90 ℃; for 72h;

DOI:10.1248/cpb.c17-00564

Reference yield:

amino(4-(trifluoromethoxy)phenyl)acetonitrile (954582-33-3) → 2-amino-2-(4-(trifluoromethoxy)phenyl)acetic acid (261952-24-3)

Guidance literature:

With water; potassium hydroxide; at 90 ℃; for 72h;

upstream raw materials:

p-trifluoromethoxybenzaldehyde

amino(4-(trifluoromethoxy)phenyl)acetonitrile

Downstream raw materials:

(R)-N-formyl-4-trifluoromethoxyphenylglycine

methyl 2-amino[4-(trifluoromethoxy)phenyl]acetate hydrochloride

2-[1-Methyl-5-(4-methylbenzyl)-1H-pyrazol-3-yl]-4-[4-(trifluoromethoxy)phenyl]-1,3-oxazole

N-{2-Hydroxy-1-[4-(trifluoromethoxy)phenyl]ethyl}-1-methyl-5-(4-methylbenzyl)-1H-pyrazole-3-carboxamide