Boc-(S)-3-Amino-4-(4-trifluoromethyl-phenyl)-butyric acid

Base Information

• Chemical Name: Boc-(S)-3-Amino-4-(4-trifluoromethyl-phenyl)-butyric acid
• CAS No.: 270065-80-0
• Molecular Formula: C16H20F3NO4
• Molecular Weight: 347.334
• Hs Code.: 2924299090
• DSSTox Substance ID: DTXSID001129150
• Mol file: 270065-80-0.mol

Synonyms:270065-80-0;Boc-(S)-3-Amino-4-(4-trifluoromethyl-phenyl)-butyric acid;(S)-3-((tert-butoxycarbonyl)amino)-4-(4-(trifluoromethyl)phenyl)butanoic acid;(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-[4-(trifluoromethyl)phenyl]butanoic acid;Boc-4-trifluoromethyl-L-beta-homophenylalanine;(S)-Boc-4-trifluoromethyl-b-homophenylalanine;Boc-(S)-3-amino-4-(4-trifluoromethylphenyl)-butyric acid;SCHEMBL1519752;DTXSID001129150;AMY33481;VKA06580;MFCD01861070;(S)-3-(tert-butoxycarbonylamino)-4-(4-(trifluoromethyl)phenyl)butanoic acid;AKOS015948753;(3S)-3-({[(1,1-dimethylethyl)oxy]carbonyl}amino)-4-[4-(trifluoromethyl)phenyl]butanoic acid;AC-22260;PS-12295;Boc-4-trifluoromethyl-L-b-homophenylalanine;(S)-Boc-2-(trifluoromethyl)-(2)-Homophe-OH;D86862;(betaS)-beta-[[(1,1-Dimethylethoxy)carbonyl]amino]-4-(trifluoromethyl)benzenebutanoic acid;(S)-3-((tert-butoxycarbonyl)amino)-4-(4-(trifluoromethyl)phenyl)butanoicacid

Chemical Property of Boc-(S)-3-Amino-4-(4-trifluoromethyl-phenyl)-butyric acid

Chemical Property:

• Vapor Pressure: 7.1E-09mmHg at 25°C
• Refractive Index: 1.486
• Boiling Point: 449.7 °C at 760 mmHg
• PKA: 4.38±0.10(Predicted)
• Flash Point: 225.8 °C
• PSA: 75.63000
• Density: 1.246 g/cm³
• LogP: 4.00680
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 7
• Exact Mass: 347.13444261
• Heavy Atom Count: 24
• Complexity: 438

Purity/Quality:

98%min ^*data from raw suppliers

(S)-Boc-2-(trifluoromethyl)-β-Homophe-OH ≥98.0% (HPLC) ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)C(F)(F)F)CC(=O)O
• Isomeric SMILES: CC(C)(C)OC(=O)N[C@@H](CC1=CC=C(C=C1)C(F)(F)F)CC(=O)O