DL-Alanine-2,3-13C2

Base Information

• Chemical Name: DL-Alanine-2,3-13C2
• CAS No.: 70753-82-1
• Molecular Formula: C₃H₇NO₂
• Molecular Weight: 92.0611
• DSSTox Substance ID: DTXSID60583849
• Mol file: 70753-82-1.mol

Synonyms:DL-Alanine-2,3-13C2;70753-82-1;2-amino(2,3-13C2)propanoic acid;DL-Alanine-13C2;DTXSID60583849;HY-N2362S3;(2,3-~13~C_2_)Alanine;CS-0379522;DL-Alanine-2,3-13C2, 99 atom % 13C

Chemical Property of DL-Alanine-2,3-13C2

Chemical Property:

• Melting Point: 289 °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: 91.054388137
• Heavy Atom Count: 6
• Complexity: 61.8

Purity/Quality:

97% ^*data from raw suppliers

DL-Alanine-2,3-13C2 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(C(=O)O)N
• Isomeric SMILES: [13CH3][13CH](C(=O)O)N

Technology Process of DL-Alanine-2,3-13C2

There total 5 articles about DL-Alanine-2,3-13C2 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: 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;

Reference yield:

(2S)-[1,2,3-(13)C3;2-(15)N;3,3-(2)H2]alanine hydrochloride → (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 ammonia; In water; optical yield given as %ee;

DOI:10.1021/ol800970t

upstream raw materials:

[¹³C]methanol

[1,2-13C₂;2-15N]glycine methyl ester

Refernces

• 1、 Terauchi, Tsutomu,Kobayashi, Kuniko,Okuma, Kosuke,Oba, Makoto,Nishiyama, Kozaburo,Kainosho, Masatsune. "Stereoselective synthesis of triply isotope-labeled Ser, Cys, and Ala: Amino acids for stereoarray isotope labeling technology". supporting information; experimental part. p. 2785 - 2787. Retrieved 2009/05/30.
• 2、 -. "STABLE ISOTOPE-LABELED AMINO ACID, METHOD OF INTEGRATING THE SAME INTO TARGET PROTEIN, METHOD OF NMR STRUCTURAL ANALYSIS OF PROTEIN AND PROCESS FOR PRODUCING SITE-SELECTIVE STABLE ISOTOPE-LABELED FUMARIC ACID AND TARTARIC ACID". Page 22. . Retrieved 2010/02/08.