Phenylalanine-d5

Base Information

• Chemical Name: Phenylalanine-d5
• CAS No.: 284664-89-7
• Molecular Formula: C9H6 D5 N O2
• Molecular Weight: 170.152
• DSSTox Substance ID: DTXSID60514739
• Wikidata: Q27145703
• Mol file: 284664-89-7.mol

Synonyms:DL-Phenyl-d5-alanine;phenylalanine-d5;284664-89-7;DL-Phenylalanine-d5;2-amino-3-(2,3,4,5,6-pentadeuteriophenyl)propanoic acid;SCHEMBL1040108;CHEBI:76052;DTXSID60514739;HY-N0215S4;(2,3,4,5,6-()H5)phenylalanine;L-Phenyl-d5-alanine, 98 atom % D;2,3,4,5,6-pentadeuteriophenylalanine;DL-Phenyl-d5-alanine, 98 atom % D;MS-22927;(2,3,4,5,6-~2~H_5_)Phenylalanine;CS-0311995;D97886;J-017096;L-Phenyl-d5-alanine, S & P tested, 98 atom % D;Q27145703;2-amino-3-(2, 3, 4, 5, 6-pentadeuteriophenyl)propanoic acid

Chemical Property of Phenylalanine-d5

Chemical Property:

• Melting Point: 266-267oC (dec.)(lit.)
• PSA: 63.32000
• LogP: 1.34130
• XLogP3: -1.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 170.110362323
• Heavy Atom Count: 12
• Complexity: 153

Purity/Quality:

98%,99%, ^*data from raw suppliers

L-Phenyl-d5-alanine ≥98atom%D,≥99%(CP) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CC(C(=O)O)N
• Isomeric SMILES: [2H]C1=C(C(=C(C(=C1[2H])[2H])CC(C(=O)O)N)[2H])[2H]
• Uses: DL-Phenyl-d5-alanine (CAS# 284664-89-7) is a useful isotopically labeled research compound.

Technology Process of Phenylalanine-d5

There total 2 articles about Phenylalanine-d5 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: 74.0%

C20H12(2)H5NO6 → [phenyl-2H5]-phenylalanine (284664-89-7,362049-55-6,54793-54-3)

Guidance literature:

With potassium hydrogencarbonate; In ethanol; water; for 7h; Reflux;

Reference yield:

→ [phenyl-2H5]-phenylalanine (284664-89-7,362049-55-6,54793-54-3)

Guidance literature:

DL-Phenylalanin, D2O, SO3;

Reference yield: 85.0%

[phenyl-2H5]-phenylalanine (284664-89-7,362049-55-6,54793-54-3) + (1R,2R,6S,7S)-4-oxa-tricyclo[5.2.1.02,6]dec-8-ene-3,5-dione (2746-19-2) → C18H12(2)H5NO4 (1613482-78-2)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; for 12h; Dean-Stark; Reflux;

DOI:10.1021/ja5042385

Downstream raw materials:

C₉H₅⁽²⁾H₆NO₂

C₁₈H₁₂⁽²⁾H₅NO₄

Refernces