L-Alanine-13C3,15N

Base Information

• Chemical Name: L-Alanine-13C3,15N
• CAS No.: 312623-85-1
• Molecular Formula: C₃H₇NO₂
• Molecular Weight: 95.0385
• DSSTox Substance ID: DTXSID50583959
• Nikkaji Number: J2.345.887J
• Wikidata: Q82475578
• Mol file: 312623-85-1.mol

Synonyms:L-Alanine-13C3,15N;312623-85-1;202407-38-3;L-Alanine-13C3, 15N;(2S)-2-(15N)Azanyl(1,2,3-13C3)propanoic acid;L-Alanine(u-13c3;15n);DTXSID50583959;HY-N0229S10;L-(~13~C_3_,~15~N)Alanine;CS-0376434;D98095;L-Alanine-13C3,15N, 98 atom % 15N, 98 atom % 13C

Chemical Property of L-Alanine-13C3,15N

Chemical Property:

• Melting Point: 314.5 °C (dec.)(lit.)
• PSA: 63.32000
• LogP: 0.11850
• XLogP3: -3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 93.05477787
• Heavy Atom Count: 6
• Complexity: 61.8

Purity/Quality:

99% ^*data from raw suppliers

L-Alanine-13C3,15N 98 atom % ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C(=O)O)N
• Isomeric SMILES: [13CH3][13C@@H]([13C](=O)O)[15NH2]
• Uses: L-Alanine-13C3;15N (CAS# 312623-85-1) is a useful isotopically labeled research compound that has been used in the synthesis of various compunds surrouding kinetic resolution.

Technology Process of L-Alanine-13C3,15N

There total 4 articles about L-Alanine-13C3,15N 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: 89.0%

C23(13)C2H23(15)NO4 → [1,2-13C2,15N]-L-alanine (285977-86-8,312623-85-1,287476-24-8)

Guidance literature:

With hydrogen; palladium dichloride; In tetrahydrofuran; ethanol; at 20 ℃; for 96h; under 2280.15 Torr;

DOI:10.1021/jo015725f

Reference yield: 85.0%

(2R)-N-{(2'S)-2'-[3',3',3'-2H3,1',2',3'-13C3,N'-15N]aminopropan-1-oyl}bornane-10,2-sultam → (S)-[3,3,3-2H3,1,2,3-13C3,N-15N]alanine (100108-77-8,285977-86-8,312623-85-1,53795-94-1,65163-26-0,202407-38-3,287476-24-8,70753-82-1)

Guidance literature:

With lithium hydroxide; In tetrahydrofuran; for 0.383333h;

DOI:10.1002/anie.200600157

Reference yield:

[1,2-13C2;2-15N]glycine methyl ester (554429-03-7) → (2S)-[1,2,3-(13)C3;2-(15)N;3,3-(2)H2]alanine (554428-97-6,100108-77-8,285977-86-8,312623-85-1,65163-26-0,202407-38-3,287476-24-8,70753-82-1)

Guidance literature:

With Benzophenone imine;

upstream raw materials:

[1,2-13C₂;2-15N]glycine methyl ester