ThyMine-13C1

Base Information

• Chemical Name: ThyMine-13C1
• CAS No.: 200417-68-1
• Molecular Formula: C5H6N2O2
• Molecular Weight: 127.12234
• Mol file: 200417-68-1.mol

Synonyms:ThyMine-13C1

Chemical Property of ThyMine-13C1

Chemical Property:

• PSA: 65.72000
• LogP: -0.62840

Purity/Quality:

98% ^*data from raw suppliers

Thymine-13C1(methyl-13C) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Uses: Thymine-13C1 (methyl-13C) (CAS# 200417-68-1) is a useful isotopically labeled research compound.

Technology Process of ThyMine-13C1

There total 2 articles about ThyMine-13C1 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: 70.0%

C20(13)C3H24N4O6S + uracil (66-22-8,144104-68-7,18324-22-6,27072-01-1,2920-92-5,51953-19-6) → C19(13)C2H20N4O5S + thymine-α-(13)C (200417-68-1)

Guidance literature:

C₂₀⁽¹³⁾C₃H₂₄N₄O₆S; uracil; In water; dimethyl sulfoxide; at 25 - 30 ℃; for 2h; pH=8;

With hydrogenchloride; In water; dimethyl sulfoxide; pH=6.5; Further stages;

DOI:10.1039/c5cc03312h

Reference yield:

urea-15N2 (2067-80-3) + [D3,13C]-dimethyl 2-hydroxy-3-methylsuccinate → [D3,13C,15N2]-5-methylpyrimidine-2,4(1H,3H)-dione (200417-68-1)

Guidance literature:

With sulfuric acid; at 80 ℃; for 22h; Inert atmosphere;

DOI:10.1016/j.tet.2019.02.059

Reference yield:

thymine-α-(13)C (200417-68-1) → C4(13)CH4(2)H2N2O2

Guidance literature:

With water-d2;

DOI:10.1021/jp972385m

upstream raw materials:

uracil

urea-15N₂