3-(2-Bromophenyl)-2-{[tert-butoxy(hydroxy)methylidene]amino}propanoate

Base Information

• Chemical Name: 3-(2-Bromophenyl)-2-{[tert-butoxy(hydroxy)methylidene]amino}propanoate
• CAS No.: 261360-76-3
• Molecular Formula: C14H18BrNO4
• Molecular Weight: 344.205
• DSSTox Substance ID: DTXSID40949020
• Wikidata: Q72448741
• Mol file: 261360-76-3.mol

Synonyms:DTXSID40949020;3-(2-Bromophenyl)-2-{[tert-butoxy(hydroxy)methylidene]amino}propanoate

Chemical Property of 3-(2-Bromophenyl)-2-{[tert-butoxy(hydroxy)methylidene]amino}propanoate

Chemical Property:

• Appearance/Colour: White or slightly yellow powder
• Vapor Pressure: 1.1E-09mmHg at 25°C
• Melting Point: 138.4 °C
• Refractive Index: 1.551
• Boiling Point: 471.3 °C at 760 mmHg
• PKA: 3.83±0.11(Predicted)
• Flash Point: 238.8 °C
• PSA: 75.63000
• Density: 1.405 g/cm³
• LogP: 3.36040
• Storage Temp.: Store at 0°C
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 342.03410
• Heavy Atom Count: 20
• Complexity: 348

Purity/Quality:

99.3% ^*data from raw suppliers

Boc-2-bromo-D-phenylalanine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)NC(CC1=CC=CC=C1Br)C(=O)[O-]
• Isomeric SMILES: CC(C)(C)OC(=O)N[C@H](CC1=CC=CC=C1Br)C(=O)[O-]
• Uses: N-Boc-2-bromo-D-phenylalanine is an important raw material and intermediate used in organic Synthesis, pharmaceuticals, agrochemicals and dyestuff.