DL-Alanine-3-13C

Base Information

• Chemical Name: DL-Alanine-3-13C
• CAS No.: 131157-42-1
• Molecular Formula: C₃H₇NO₂
• Molecular Weight: 90.0831
• DSSTox Substance ID: DTXSID50480393
• Mol file: 131157-42-1.mol

Synonyms:DL-Alanine-3-13C;131157-42-1;2-amino(313C)propanoic acid;DL-ALANINE (3-13C);Dl-alanine(3-13c);DTXSID50480393;HY-N2362S1;DL-Alanine-3-13C, 99 atom % 13C;CS-0376202

Chemical Property of DL-Alanine-3-13C

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: 90.051033301
• Heavy Atom Count: 6
• Complexity: 61.8

Purity/Quality:

97% ^*data from raw suppliers

DL-ALANINE-3-13C 95.00% ^*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]C(C(=O)O)N

Technology Process of DL-Alanine-3-13C

There total 4 articles about DL-Alanine-3-13C 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:

[1-13C]-6-deoxy-6-sulfo-D-glucopyranose (1423441-96-6) → (2-13C)acetic acid (1563-80-0) + [β-13C]-L-cysteine (201612-57-9) + 2-oxo-[3-13C]propionic acid (74787-41-0) + C3(13)CH8N2O3 + <3-13C>-L-alanine (131157-42-1,133665-48-2,65163-25-9) + (S)-(3-13C)aspartic acid (68261-19-8) + L-[4-13C]glutamine + L-<3-(13)C>serine (89232-77-9)

Guidance literature:

With L-glutamine; In aq. buffer; at 37 ℃; for 144h; pH=7.6; Enzymatic reaction;

DOI:10.1016/j.carres.2012.09.014 DOI:10.1016/j.carres.2012.09.014

Reference yield:

[1-13C]fructofuranose 6-phosphate (1423425-09-5) → (2-13C)acetic acid (1563-80-0) + C5(13)CH11O9P + (4-13C)-L-glutamic acid (135053-07-5) + <3-13C>-L-alanine (131157-42-1,133665-48-2,65163-25-9) + (S)-(3-13C)aspartic acid (68261-19-8) + L-[4-13C]glutamine + L-<3-(13)C>serine (89232-77-9) + [3-13C]-L-lactic acid (155307-62-3)

Guidance literature:

With L-glutamine; In aq. buffer; at 37 ℃; for 144h; pH=7.6; Enzymatic reaction;

DOI:10.1016/j.carres.2012.09.014 DOI:10.1016/j.carres.2012.09.014

Reference yield:

C10(13)CH15NO3*ClH → <3-13C>-L-alanine (131157-42-1,133665-48-2,65163-25-9)

Guidance literature:

With hydrogen; palladium on activated charcoal; In ethanol; for 48h; under 3677.54 Torr;

DOI:10.1002/jlcr.800

upstream raw materials:

[1-¹³C]-6-deoxy-6-sulfo-D-glucopyranose

[1-¹³C]fructofuranose 6-phosphate

Downstream raw materials:

L-[3-⁽¹³⁾C]tyrosine

[2-13C]-L-glutamic acid

furan

2-methylfuran