CID 16219068

Base Information

• Chemical Name: CID 16219068
• CAS No.: 72842-05-8
• Molecular Formula: C11H20 N4 O11 P2 . Na
• Molecular Weight: 490.21
• European Community (EC) Number: 635-295-0
• DSSTox Substance ID: DTXSID90585098
• Mol file: 72842-05-8.mol

Synonyms:CID 16219068;72842-05-8;DTXSID90585098;PUBCHEM_16219068;QHTGCSYPHRDJMR-UHFFFAOYSA-N

Chemical Property of CID 16219068

Chemical Property:

• PSA: 265.18000
• LogP: -0.42690
• Storage Temp.: −20°C
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 9
• Exact Mass: 469.05015074
• Heavy Atom Count: 29
• Complexity: 746

Purity/Quality:

CYTIDINE-5'-DIPHOS-PHO-ETHA-NOL-AMINE SODIUM SALT 95.00% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CN(C(=O)N=C1N)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OCCN)O)O.[Na]

Technology Process of CID 16219068

There total 6 articles about CID 16219068 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-(β-D-ribofuranosyl)cytosine-5'-diphosphate ethanolamine (3036-18-8) → monosodium salt of cytidine(5')diphosphoethanolamine (72842-05-8)

Guidance literature:

With sodium 2,2,2-trifluoroacetate; triethylamine carbonate; Inert atmosphere;

DOI:10.1016/j.tetlet.2014.07.076

Reference yield:

O2',O3'-carbonyl-[5']cytidylic acid (65062-75-1) → monosodium salt of cytidine(5')diphosphoethanolamine (72842-05-8)

Guidance literature:

Multi-step reaction with 5 steps

1.1: 0.5 h / 20 °C / Inert atmosphere

2.1: methanol / 0.5 h / Inert atmosphere

2.2: 24 h / 20 °C / Inert atmosphere

3.1: triethylamine carbonate / aq. buffer / 2 h / 20 °C / pH 9 / Inert atmosphere

4.1: trifluoroacetic acid / dichloromethane / 1 h / 20 °C / Inert atmosphere

5.1: triethylamine carbonate; sodium 2,2,2-trifluoroacetate / Inert atmosphere

With sodium 2,2,2-trifluoroacetate; triethylamine carbonate; trifluoroacetic acid; In methanol; dichloromethane;

DOI:10.1016/j.tetlet.2014.07.076

Reference yield:

cytidine monophosphate (63-37-6,30811-80-4) → monosodium salt of cytidine(5')diphosphoethanolamine (72842-05-8)

Guidance literature:

Multi-step reaction with 6 steps

1.1: tributyl-amine / 0.17 h / 50 °C / Inert atmosphere

2.1: 0.5 h / 20 °C / Inert atmosphere

3.1: methanol / 0.5 h / Inert atmosphere

3.2: 24 h / 20 °C / Inert atmosphere

4.1: triethylamine carbonate / aq. buffer / 2 h / 20 °C / pH 9 / Inert atmosphere

5.1: trifluoroacetic acid / dichloromethane / 1 h / 20 °C / Inert atmosphere

6.1: triethylamine carbonate; sodium 2,2,2-trifluoroacetate / Inert atmosphere

With tributyl-amine; sodium 2,2,2-trifluoroacetate; triethylamine carbonate; trifluoroacetic acid; In methanol; dichloromethane;

DOI:10.1016/j.tetlet.2014.07.076

upstream raw materials:

O^2',O^3'-carbonyl-[5']cytidylic acid

cytidine monophosphate

1-(β-D-ribofuranosyl)cytosine-5'-diphosphate ethanolamine

Refernces