2-Amino-3-(2-(trifluoromethyl)phenyl)propanoic acid

Base Information

• Chemical Name: 2-Amino-3-(2-(trifluoromethyl)phenyl)propanoic acid
• CAS No.: 3832-73-3
• Molecular Formula: C10H10 F3 N O2
• Molecular Weight: 233.19
• Hs Code.: 2922499990
• European Community (EC) Number: 671-725-3
• DSSTox Substance ID: DTXSID90380585
• Mol file: 3832-73-3.mol

Synonyms:3832-73-3;2-(Trifluoromethyl)-dl-phenylalanine;2-amino-3-(2-(trifluoromethyl)phenyl)propanoic acid;2-amino-3-[2-(trifluoromethyl)phenyl]propanoic Acid;2-trifluoromethyl-dl-phenylalanine;L-2-Trifluoromethylphenylalanine;MFCD00061305;D-2-TRIFLUOROMETHYLPHE;2-azanyl-3-[2-(trifluoromethyl)phenyl]propanoic acid;D-2-Trifluoromethylphenylalanine;MFCD01860877;L-2-Trifluoromethylphe;SCHEMBL42975;2-Amino-3-(2-(trifluoromethyl)phenyl)propanoicacid;2-(trifluoromethyl)phenylalanine;H-D-PHE(2-CF3)-OH;DTXSID90380585;IOABLDGLYOGEHY-UHFFFAOYSA-N;DL-2-(Trifluoromethyl)phenylalanine;AKOS000189768;AKOS016843214;AB02428;DS-18389;SY006318;SY044828;CS-0156659;FT-0608970;FT-0648224;FT-0654169;A50213;EN300-1932125;A806168;A824111;A873863;(S)-2-Amino-3-[2-(trifluoromethyl)phenyl]propionic acid

Chemical Property of 2-Amino-3-(2-(trifluoromethyl)phenyl)propanoic acid

Chemical Property:

• Vapor Pressure: 0.000532mmHg at 25°C
• Refractive Index: 1.502
• Boiling Point: 299.4°Cat760mmHg
• Flash Point: 134.9°C
• PSA: 63.32000
• Density: 1.364g/cm³
• LogP: 2.36010
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: -0.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 233.06636305
• Heavy Atom Count: 16
• Complexity: 255

Purity/Quality:

98%min ^*data from raw suppliers

2-(Trifluoromethyl)-DL-phenylalanine 97% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: T,Xi
• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Amino-3-(2-(trifluoromethyl)phenyl)propanoic acid

There total 4 articles about 2-Amino-3-(2-(trifluoromethyl)phenyl)propanoic 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-acetylamino-3-(2-trifluoromethyl-phenyl)-acrylic acid (3094-32-4) → 2-(trifluoromethyl)-dl-phenylalanine (3832-73-3,130930-49-3)

Guidance literature:

Multi-step reaction with 2 steps

1: H₂ / Pd-C

2: (hydrolysis)

With hydrogen; palladium on activated charcoal;

DOI:10.1021/jo01075a015

Reference yield:

2-methyl-4-(2-trifluoromethyl-benzylidene)-4H-oxazol-5-one (2341-62-0) → 2-(trifluoromethyl)-dl-phenylalanine (3832-73-3,130930-49-3)

Guidance literature:

Multi-step reaction with 3 steps

1: (hydrolysis)

2: H₂ / Pd-C

3: (hydrolysis)

With hydrogen; palladium on activated charcoal;

DOI:10.1021/jo01075a015

Reference yield:

o-(trifluoromethyl)phenylpyruvic acid (120658-69-7) + (+/-)-15-aminomethyl-14-hydroxy-5,5-dimethyl-2,8-dithia<9>(2,5)pyridophane (80980-62-7,80980-63-8,80980-64-9) → 2-(trifluoromethyl)-dl-phenylalanine (3832-73-3,130930-49-3) + racemic 15-formyl-14-hydroxy-5,5-dimethyl-2,8-dithia<9>(2,5)pyridinophane (80980-59-2,80980-60-5,89887-96-7)

Guidance literature:

With zinc diacetate; sodium methylate; In methanol; at 25 ℃; for 72h; Rate constant;

DOI:10.1246/bcsj.63.1925

upstream raw materials:

o-(trifluoromethyl)phenylpyruvic acid

(+/-)-15-aminomethyl-14-hydroxy-5,5-dimethyl-2,8-dithia<9>(2,5)pyridophane

2-Acetamino-3-<2-trifluormethyl-phenyl>-propionsaeure

2-methyl-4-(2-trifluoromethyl-benzylidene)-4H-oxazol-5-one

Refernces