2-Amino-3-(4-iodophenyl)propanoic acid

Base Information

• Chemical Name: 2-Amino-3-(4-iodophenyl)propanoic acid
• CAS No.: 14173-41-2
• Molecular Formula: C₉H₁₀INO₂
• Molecular Weight: 291.088
• Hs Code.: 2922499990
• European Community (EC) Number: 881-434-5
• DSSTox Substance ID: DTXSID20931185
• Nikkaji Number: J3.054.467F
• Mol file: 14173-41-2.mol

Synonyms:4-iodophenylalanine;4-iodophenylalanine, (123)I-labelled cpd, (DL)-isomer;4-iodophenylalanine, (123)I-labelled cpd, (L)-isomer;4-iodophenylalanine, (128)I-labelled cpd, (DL)-isomer;4-iodophenylalanine, (DL)-isomer;4-iodophenylalanine, (L)-isomer;p-(123I)iodo-L-phenylalanine;para-iodophenylalanine

Chemical Property of 2-Amino-3-(4-iodophenyl)propanoic acid

Chemical Property:

• Vapor Pressure: 5.01E-06mmHg at 25°C
• Melting Point: 276 °C
• Refractive Index: 1.653
• Boiling Point: 366.8 °C at 760 mmHg
• Flash Point: 175.6 °C
• PSA: 63.32000
• Density: 1.824 g/cm³
• LogP: 1.94590
• Storage Temp.: Store at RT.
• XLogP3: -0.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 290.97563
• Heavy Atom Count: 13
• Complexity: 179

Purity/Quality:

99.5% ^*data from raw suppliers

4-Iodo-DL-phenylalanine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1CC(C(=O)O)N)I

Technology Process of 2-Amino-3-(4-iodophenyl)propanoic acid

There total 10 articles about 2-Amino-3-(4-iodophenyl)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: 100.0%

L-phenylalanine (63-91-2,25191-15-5,658-69-5,67675-33-6) → 4-iodo-L-phenylalanine (1991-81-7,14173-41-2,24250-85-9,62561-75-5)

Guidance literature:

L-phenylalanine; With sodium iodate; sulfuric acid; iodine; In acetic acid; at 70 ℃; for 18h;

With sodium hydroxide; In methanol; water;

Reference yield: 48.0%

Phenylalanine (150-30-1,25191-15-5,658-69-5,67675-33-6) → p-iodophenylalanine (1991-81-7,14173-41-2,24250-85-9,62561-75-5)

Guidance literature:

With sodium iodate; sulfuric acid; iodine; In acetic acid; at 70 ℃; for 18h; regioselective reaction;

DOI:10.1039/b819091g

Reference yield:

p-borono-L-phenylalanine (76410-58-7) → 4-iodo-L-phenylalanine (1991-81-7,14173-41-2,24250-85-9,62561-75-5)

Guidance literature:

With N-Bromosuccinimide; sodium hydrogencarbonate; sodium iodide; In water; at 20 ℃; for 0.5h;

upstream raw materials:

1-bromomethyl-4-iodobenzene

2-acetylaminomalonic acid diethyl ester

Phenylalanine

L-phenylalanine

Downstream raw materials:

(S)-methyl 2-amino-3-(4-iodophenyl)propanoate

(S)-2-[(R)-(1-Aza-bicyclo[2.2.2]oct-3-yl)amino]-3-(4-iodo-phenyl)-propionic acid

(S)-2-[(S)-(1-Aza-bicyclo[2.2.2]oct-3-yl)amino]-3-(4-iodo-phenyl)-propionic acid

N-fmoc-4-iodo-(L)-phenylalanine

Refernces

• 1、 -. "PRODUCTION METHOD FOR RADIOLABELED ARYL COMPOUND". Paragraph 0208. . Retrieved 2020/12/10.
• 2、 -. "PENTAFLUOROPHOSPHATE DERIVATIVE, ITS USES AND AN APPROPRIATE MANUFACTURING METHOD". Page/Page column 12. . Retrieved 2019/04/05.