5'-Thymidylic acid, disodium salt

Base Information

• Chemical Name: 5'-Thymidylic acid, disodium salt
• CAS No.: 33430-62-5
• Molecular Formula: C₁₀H₁₃N₂O₈P*2Na
• Molecular Weight: 366.175
• Hs Code.: 29349990
• European Community (EC) Number: 251-518-0
• Mol file: 33430-62-5.mol

Synonyms:33430-62-5;5'-Thymidylic Acid Disodium Salt;5'-Thymidylic acid, disodium salt;thymidine-5'-monophosphate disodium salt;sodium ((2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl)methyl phosphate;THYMIDINE 5'-MONOPHOSPHATE, DISODIUM SALT;Thymidine 5'-Monophosphate Disodium Salt;disodium;[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl phosphate;Thymidine-5'-monophosphate (disodium) salt;EINECS 251-518-0;Thymidine 5'-monophosphate sodium salt;dTMP 2Na;Dtmp,(S);Thymidine-5'-monophosphate, disodium salt;SCHEMBL543836;HG1145;MFCD00023797;AKOS022177788;GS-5434;Thymidine 5'-monophosphate disodium sa;75652-49-2;AC-32420;deoxythymidine 5'-phosphate disodium salt;T0845;A821772;disodium [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)oxolan-2-yl]methyl phosphate;disodium [3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl phosphate;2'-DEOXYTHYMIDINE-5'-MONOPHOSPHATE, DISODIUM SALT;sodium((2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl)methylphosphate

Chemical Property of 5'-Thymidylic acid, disodium salt

Chemical Property:

• Appearance/Colour: White amorphous powder
• Melting Point: >300 °C
• Refractive Index: -8 ° (C=0.4, H2O)
• PSA: 166.55000
• LogP: -0.52090
• Storage Temp.: −20°C
• Water Solubility.: Soluble in water.
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 3
• Exact Mass: 366.02049094
• Heavy Atom Count: 23
• Complexity: 518

Purity/Quality:

99% ^*data from raw suppliers

Thymidine 5'-Monophosphate Disodium Salt Hydrate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)([O-])[O-])O.[Na+].[Na+]
• Isomeric SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)([O-])[O-])O.[Na+].[Na+]
• Uses: Thymidine-5'-monophosphate disodium salt is a nucleoside monophosphate used to prepare thymidine diphosphate by thymidylate kinase (TMPK) which is a nucleoside monophosphate kinase. In addition to this, it serves as a constituent of deoxyribonucleic acid.

Technology Process of 5'-Thymidylic acid, disodium salt

There total 6 articles about 5'-Thymidylic acid, disodium salt 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: 100.0%

3'-O-(2-cyanoethyl)-2'-deoxythymidine-5'-phosphate disodium salt → thymidine 5'-phosphate sodium salt (33430-62-5,61240-13-9,75652-49-2,85597-60-0)

Guidance literature:

With tetrabutyl ammonium fluoride; In tetrahydrofuran; at 66 ℃; for 0.05h;

DOI:10.1135/cccc2008183

Reference yield: 91.0%

O,O-dibenzyl O-(5'-deoxythymidine-5'-yl)phosphate (5115-07-1) → thymidine 5'-phosphate sodium salt (33430-62-5,61240-13-9,75652-49-2,85597-60-0)

Guidance literature:

O,O-dibenzyl O-(5'-deoxythymidine-5'-yl)phosphate; With palladium 10% on activated carbon; hydrogen; In methanol; at 20 ℃; for 2h;

In methanol;

DOI:10.1002/cmdc.202100603

Reference yield:

thymidine 5'-phosphate (365-07-1,15108-71-1,60363-32-8,96744-88-6,132696-16-3,143838-77-1) → thymidine 5'-phosphate sodium salt (33430-62-5,61240-13-9,75652-49-2,85597-60-0)

Guidance literature:

With sodium perchlorate; In methanol; acetone; at 4 ℃; Inert atmosphere;

DOI:10.1135/cccc2008183

upstream raw materials:

Phosphoric acid (2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-tetrahydro-furan-2-ylmethyl ester bis-(2,2,2-trichloro-1,1-dimethyl-ethyl) ester

thymidine 5'-phosphate

O,O-dibenzyl O-(3'-O-(tert-butyldimethylsilyl)-5'-deoxythymidine-5'-yl)phosphate

O,O-dibenzyl O-(5'-deoxythymidine-5'-yl)phosphate

Downstream raw materials:

thymidine 5'-phosphate

5'-adenosine monophosphate

Refernces

• 1、 Keller, Angelika C.,Serva, Saulius,Knapp, Diana C.,Kwiatkowski, Marek,Engels, Joachim W.. "Synthesis of 3'O-(2-cyanoethyl)-2'-deoxythymidine-5'-phosphate as a model compound for evaluation of Cyanoethyl Cleavage". scheme or table. p. 515 - 534. Retrieved 2010/02/28.