L-Alanine-13C3

Base Information

• Chemical Name: L-Alanine-13C3
• CAS No.: 100108-77-8
• Molecular Formula: C₃H₇NO₂
• Molecular Weight: 92.0611
• DSSTox Substance ID: DTXSID90583958
• Nikkaji Number: J947.166I
• Mol file: 100108-77-8.mol

Synonyms:L-Alanine-13C3;100108-77-8;(2S)-2-amino(1,2,3-13C3)propanoic acid;L-ALANINE (U-13C3);L-Alanine-13C3 (9CI);L-Alanine-1,2,3-13C3;L-Alanine(u-13c3);L-(~13~C_3_)Alanine;DTXSID90583958;HY-N0229S8;L-Alanine-13C3, 98 atom % 13C, 95% (CP);L-Alanine-13C3, S & P tested, 99 atom % 13C

Chemical Property of L-Alanine-13C3

Chemical Property:

• Melting Point: 314.5 °C (dec.)(lit.)
• PSA: 63.32000
• LogP: 0.11850
• Storage Temp.: Refrigerator
• Solubility.: Aqueous Acid (Slightly), Water (Slightly)
• XLogP3: -3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 92.05774297
• Heavy Atom Count: 6
• Complexity: 61.8

Purity/Quality:

97% ^*data from raw suppliers

L-Alanine-13C3 ^*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)N
• Uses: L-Alanine-13C3 is the isotope labelled analog of L-Alanine (A481500); a compound used to make in-vivo measurement of glucose and alanine metabolism in studies of patients with diabetes. L-Alanine is a non-essential amino acid for human development and is one of the 20 amino acids encoded by the genetic code.

Technology Process of L-Alanine-13C3

There total 4 articles about L-Alanine-13C3 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

Downstream raw materials:

furan

2-methylfuran

(S)-2-(((benzyloxy)carbonyl)amino)[1,2,3-¹³C₃, 2,3,3,3-²H_4]propanoic acid