L-Phenylalanine-1-13C

Base Information

• Chemical Name: L-Phenylalanine-1-13C
• CAS No.: 81201-86-7
• Molecular Formula: C₉H₁₁NO₂
• Molecular Weight: 168.165
• DSSTox Substance ID: DTXSID40583968
• Nikkaji Number: J980.726H
• Wikidata: Q82475588
• Mol file: 81201-86-7.mol

Synonyms:L-Phenylalanine-1-13C;81201-86-7;L-Phenylalanine-carboxy-13C;L-Phenylalanine-13C;(2S)-2-amino-3-phenyl(113C)propanoic acid;L-PHENYLALANINE (1-13C);L-[13C]-phenylalanine;L-(~13~C)Phenylalanine;SCHEMBL1332173;DTXSID40583968;HY-N0215S2;L-Phenylalanine-1-13C, 99 atom % 13C;CS-0226242;(2S)-2-amino-3-phenylpropanoic acid, L-Phenylalanine-carboxy-13C;L-Phenylalanine-1-13C, S & P tested, 99 atom % 13C, 99% (CP)

Chemical Property of L-Phenylalanine-1-13C

Chemical Property:

• Melting Point: 270-275oC (dec.)(lit.)
• 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: 166.082333429
• Heavy Atom Count: 12
• Complexity: 153

Purity/Quality:

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

L-Phenylalanine-carboxy-13C ^*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)C[C@@H]([13C](=O)O)N
• Uses: L-Phenylalanine-carboxy-13C is labelled L-Phenylalanine (P319415), an essential amino acid. L-Phenylalanine is biologically converted into L-tyrosine, another one of the DNA-encoded amino acids, which in turn is converted to L-DOPA and further converted into dopamine, norepinephrine, and epinephrine. L-Phenylalanine is produced for medical, feed, and nutritional applications such as in the preparation of Aspartame.

Technology Process of L-Phenylalanine-1-13C

There total 11 articles about L-Phenylalanine-1-13C 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:

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

Reference yield:

C6(13)C6H9(2)H6(15)NO3 → C3(13)C6H5(2)H6(15)NO2 (136056-01-4,136056-02-5,362049-55-6,54793-54-3,81201-86-7,81387-53-3,286425-42-1)

Guidance literature:

With hydrogenchloride;

DOI:10.1021/ja051386m

upstream raw materials:

C₁₀⁽¹³⁾CH₁₁NO₃

Downstream raw materials:

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