4-Iodo-N-methylphenylalanine

Base Information

• Chemical Name: 4-Iodo-N-methylphenylalanine
• CAS No.: 850161-82-9
• Molecular Formula: C10H12INO2
• Molecular Weight: 305.115
• DSSTox Substance ID: DTXSID10591636
• Mol file: 850161-82-9.mol

Synonyms:4-Iodo-N-methylphenylalanine;SCHEMBL1325154;DTXSID10591636;AKOS015964313

Chemical Property of 4-Iodo-N-methylphenylalanine

Chemical Property:

• Vapor Pressure: 5.06E-06mmHg at 25°C
• XLogP3: -0.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 304.99128
• Heavy Atom Count: 14
• Complexity: 191

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CNC(CC1=CC=C(C=C1)I)C(=O)O

Technology Process of 4-Iodo-N-methylphenylalanine

There total 2 articles about 4-Iodo-N-methylphenylalanine 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: 93.0%

N-methyl-N-trifluoroacetyl-4-iodophenylalanine methyl ester (1027371-91-0) → N-methyl-4-iodophenylalanine (850161-82-9)

Guidance literature:

With potassium carbonate; In water; acetone; at 45 ℃;

Reference yield: 93.0%

N-methyl-N-trifluoroacetyl-4-iodophenylalanine methyl ester (850161-81-8) → N-methyl-4-iodophenylalanine (850161-82-9)

Guidance literature:

With potassium carbonate; In acetone; at 45 ℃;

DOI:10.1021/jm048952t

Reference yield:

N-methyl-4-iodophenylalanine (850161-82-9) + di-tert-butyl dicarbonate (24424-99-5) → N-BOC-N-methyl-4-iodo-L-phenylalanine (138571-42-3)

Guidance literature:

With sodium hydroxide; at 20 ℃; for 0.666667h;

DOI:10.1021/jm048952t

upstream raw materials:

N-methyl-N-trifluoroacetyl-4-iodophenylalanine methyl ester

N-methyl-N-trifluoroacetyl-4-iodophenylalanine methyl ester

Downstream raw materials:

N-BOC-N-methyl-4-iodo-L-phenylalanine

N-Boc-N-methyl-4-iodophenylalanine methyl ester