2-Amino-2-(2-(trifluoromethyl)phenyl)acetic acid

Base Information

• Chemical Name: 2-Amino-2-(2-(trifluoromethyl)phenyl)acetic acid
• CAS No.: 240490-00-0
• Molecular Formula: C₉H₈F₃NO₂
• Molecular Weight: 219.163
• Hs Code.: 2922499990
• European Community (EC) Number: 622-813-5
• DSSTox Substance ID: DTXSID00380596
• ChEMBL ID: CHEMBL382621
• Mol file: 240490-00-0.mol

Synonyms:240490-00-0;2-amino-2-(2-(trifluoromethyl)phenyl)acetic acid;2-amino-2-[2-(trifluoromethyl)phenyl]acetic Acid;2-(Trifluoromethyl)-DL-phenylglycine;amino-(2-trifluoromethyl-phenyl)-acetic acid;MFCD02662403;CHEMBL382621;(+/-)-2-Amino-2-[2-(trifluoromethyl)phenyl]acetic acid;amino[2-(trifluoromethyl)phenyl]acetic acid;(2R)-2-amino-2-[2-(trifluoromethyl)phenyl]acetic acid;H-DL-Phg(2-CF3)-OH;SCHEMBL2627949;DTXSID00380596;WSMXFJGWNKBPHC-UHFFFAOYSA-N;BDBM50179716;CK1028;AKOS000192946;AKOS016051259;6L-370S;AB05388;AB11964;AB32941;CS-W021540;SY044830;FT-0723542;EN300-66733;2-Amino-2-(2-trifluoromethylphenyl)acetic acid;alpha-Amino-2-(trifluoromethyl)phenylacetic acid;2-(Trifluoromethyl)-DL-phenylglycine, >=98.0%;A878034;SR-01000307885;AMINO-(2-TRIFLUOROMETHYL-PHENYL)-ACETICACID;J-015334;SR-01000307885-1;(S)-AMINO-(2-TRIFLUOROMETHYL-PHENYL)-ACETIC ACID;Z317024708;2-(TRIFLUOROMETHYL)PHENYLGLYCINE;2-(TRIFLUOROMETHYL)-DL-PHENYLGLYCINE;( /-)-2-AMINO-2-[2-(TRIFLUOROMETHYL)PHENYL]ACETIC ACID;AMINO-(2-TRIFLUOROMETHYL-PHENYL)-ACETIC ACID;2-Amino-2-[2-(trifluoromethyl)phenyl]acetic Acid

Chemical Property of 2-Amino-2-(2-(trifluoromethyl)phenyl)acetic acid

Chemical Property:

• Vapor Pressure: 0.00109mmHg at 25°C
• Melting Point: 253 °C
• Refractive Index: 1.504
• Boiling Point: 288.38 °C at 760 mmHg
• PKA: 1.73±0.10(Predicted)
• Flash Point: 128.208 °C
• PSA: 63.32000
• Density: 1.416 g/cm³
• LogP: 2.49010
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: -0.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 219.05071298
• Heavy Atom Count: 15
• Complexity: 242

Purity/Quality:

98%,99%, ^*data from raw suppliers

2-Amino-2-[2-(trifluoromethyl)phenyl]aceticAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Amino-2-(2-(trifluoromethyl)phenyl)acetic acid

There total 2 articles about 2-Amino-2-(2-(trifluoromethyl)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: 4.0%

methyl 2-(2-trifluoromethylphenyl)glycinate → 2-(trifluoromethyl)-DL-phenylglycine (240490-00-0)

Guidance literature:

With potassium hydroxide; In water; at 20 ℃; for 1h; Inert atmosphere;

DOI:10.1021/acs.joc.0c01302

Reference yield:

2-Trifluoromethylbenzaldehyde (447-61-0) → 2-(trifluoromethyl)-DL-phenylglycine (240490-00-0)

Guidance literature:

Multi-step reaction with 2 steps

1.1: ammonium chloride / water; methanol / 5 h / 0 - 20 °C / Inert atmosphere

1.2: 13 h / Reflux; Inert atmosphere

1.3: 7 h / 0 °C / Reflux; Inert atmosphere

2.1: potassium hydroxide / water / 1 h / 20 °C / Inert atmosphere

With ammonium chloride; potassium hydroxide; In methanol; water;

DOI:10.1021/acs.joc.0c01302

Reference yield: 44.0%

Trp (54-12-6,27732-43-0,80206-30-0,27813-82-7) + 2-(trifluoromethyl)-DL-phenylglycine (240490-00-0) → 1-(2-(trifluoromethyl)phenyl)-9H-pyrido[3,4-b]indole

Guidance literature:

With iodine; trifluoroacetic acid; In dimethyl sulfoxide; at 120 ℃; for 24h; Green chemistry;

DOI:10.1021/acs.joc.8b01668

upstream raw materials:

2-Trifluoromethylbenzaldehyde

Refernces