DL-Phenylalanine-15N

Base Information

• Chemical Name: DL-Phenylalanine-15N
• CAS No.: 81387-53-3
• Molecular Formula: C₉H₁₁NO₂
• Molecular Weight: 178.062
• DSSTox Substance ID: DTXSID40514737
• Mol file: 81387-53-3.mol

Synonyms:DL-Phenylalanine-15N;81387-53-3;DL-3-Phenylalanine-15N;2-(15N)azanyl-3-phenylpropanoic acid;(~15~N)Phenylalanine;SCHEMBL1331205;HY-B1732S;DTXSID40514737;DL-Phenylalanine-15N, 98 atom % 15N;CS-0226238

Chemical Property of DL-Phenylalanine-15N

Chemical Property:

• Melting Point: 266-267 °C (dec.)(lit.)
• Refractive Index: 1.576
• PSA: 63.32000
• Density: 1.201g/cm³
• LogP: 1.34130
• XLogP3: -1.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 166.076013488
• Heavy Atom Count: 12
• Complexity: 153

Purity/Quality:

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

DL-Phenylalanine-15N 98 atom % 15N ^*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: C1=CC=C(C=C1)CC(C(=O)O)[15NH2]

Technology Process of DL-Phenylalanine-15N

There total 7 articles about DL-Phenylalanine-15N 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: 99.0%

[1,2,3,3',5'-13C5;1,2',4',6'-2H4;2-15N1]-N-acetyl-phenylalanine methyl ester → [1,2,3,3',5'-13C5;1,2',4',6'-2H4;2-15N1]-phenylalanine (136056-01-4,136056-02-5,54793-54-3,81201-86-7,81387-53-3,286425-42-1)

Guidance literature:

With hydrogenchloride; water; at 105 ℃; for 12h;

Reference yield: 92.0%

sodium phenylphyruvate (114-76-1) → <15N>-L-phenylalanine (29700-34-3,81387-53-3)

Guidance literature:

With formate dehydrogenase; 1,4-dihydronicotinamide adenine dinucleotide; ¹⁵N-ammonium formate; phenylalanine dehydrogenase; diothiothreitol; Ambient temperature; TRIS, pH=6.5-7.0, 0.1M HCl;

DOI:10.1016/S0040-4039(00)78265-7

Reference yield:

C7(13)C5H10(2)H5(15)NO3 → C4(13)C5H6(2)H5(15)NO2 (136056-01-4,136056-02-5,54793-54-3,81201-86-7,81387-53-3,286425-42-1)

Guidance literature:

With hydrogenchloride;

DOI:10.1021/ja051386m

upstream raw materials:

sodium phenylphyruvate

Downstream raw materials:

(S)-3-benzamido-3-phenylpropanoic acid