Glycine-13C2

Base Information

• Chemical Name: Glycine-13C2
• CAS No.: 67836-01-5
• Molecular Formula: C2H5NO2
• Molecular Weight: 77.0452
• DSSTox Substance ID: DTXSID10514663
• Nikkaji Number: J1.419.344H
• Wikidata: Q82375127
• Mol file: 67836-01-5.mol

Synonyms:Glycine-13C2;67836-01-5;(~13~C_2_)Glycine;DTXSID10514663;HY-Y0966S3;Glycine-13C2, 99 atom % 13C;AKOS015913163;CS-0375791

Chemical Property of Glycine-13C2

Chemical Property:

• Melting Point: 240 °C (dec.)(lit.)
• PSA: 63.32000
• LogP: -0.27000
• Storage Temp.: Refrigerator
• Solubility.: Acetonitrile (Slightly), Methanol (Slightly), Water (Slightly)
• XLogP3: -3.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 77.038738073
• Heavy Atom Count: 5
• Complexity: 42.9

Purity/Quality:

99.90% ^*data from raw suppliers

Glycine-13C2 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(C(=O)O)N
• Isomeric SMILES: [13CH2]([13C](=O)O)N
• Uses: Isotope labelled Glycine is a non-essential amino acid for human development. Glycine is an inhibitory neurotransmitter in spinal cord, allosteric regulator of NMDA receptors.

Technology Process of Glycine-13C2

There total 3 articles about Glycine-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:

[13C]methanol (14742-26-8) → U-(13)C-L-aspartic acid (55443-54-4,81201-98-1,68315-35-5) + 1,2-13C2-glycine (67836-01-5) + (13)C3H8N2O2 + (13)C4H9NO2 + (13)C4H9NO2 + (13)C4H9NO2 + (13)C4H9NO2 + (13)C4H9NO2 + (13)C4H9NO2 + (13)C4H9NO2 + (13)C4H7NO4 (1202063-43-1,55443-54-4,81201-98-1,68315-35-5) + (13)C5H7NO3 (55443-56-6) + (13)C5H7NO3 + (13)C4H10N2O2 + (13)C4H10N2O2 + (13)C4H10N2O2 (1391068-14-6) + (13)C4H10N2O2 + (13)C4H8N2O3 + (13)C5H9NO2 (81202-06-4) + (13)C5H11NO2 + (13)C3H7NO2 + (13)C5H11NO2 + (13)C5H9NO3 + (13)C5H11NO2 + (13)C4H9NO2 + (13)C3H7NO2 + (13)C3H8N2O2 + (13)C3H8N2O2 + (13)C3H8N2O2 + (13)C3H7NO2 (286460-72-8,65163-26-0,70753-82-1) + alanine 13C315N (100108-77-8,65163-26-0,70753-82-1)

Guidance literature:

[¹³C]methanol; With ammonia; water; at -193.16 ℃; for 240h; under 7.50075E-08 Torr; Microwave irradiation;

With hydrogenchloride; water; at 110 ℃; for 24h;

DOI:10.1002/cplu.201100048

Reference yield:

(13)C2H4O4 → 1,2-13C2-glycine (67836-01-5)

Guidance literature:

With sodium metavanadate; L-glutamic acid; In aq. phosphate buffer; water-d2; at 23 ℃; pH=7; Reagent/catalyst; Catalytic behavior; Kinetics;

DOI:10.1021/jacs.1c08535

Reference yield:

→ 1,2-13C2-glycine (67836-01-5)

Guidance literature:

Phthaloyl-derivat, N2H4;

DOI:10.1016/S0022-328X(00)90434-0

upstream raw materials:

[¹³C]methanol

Downstream raw materials:

methylamine

[¹³C₉]-[(2,5-dichlorobenzoyl)amino]acetic acid

[1,2-13C₂]Cbz-Gly-OH

Refernces

• 1、 Mayer, Robert J.,Kaur, Harpreet,Rauscher, Sophia A.,Moran, Joseph. "Mechanistic insight into metal ion-catalyzed transamination". supporting information. p. 19099 - 19111. Retrieved 2021/11/22.