CDP-ethanolamine

Base Information

• Chemical Name: CDP-ethanolamine
• CAS No.: 3036-18-8
• Molecular Formula: C11H20 N4 O11 P2
• Molecular Weight: 446.248
• Nikkaji Number: J14.936E
• Wikidata: Q26997412
• Metabolomics Workbench ID: 37872
• Mol file: 3036-18-8.mol

Synonyms:CDP ethanolamine;CDP ethanolamine, P'-(32)P-labeled;cytidine diphosphate ethanolamine

Chemical Property of CDP-ethanolamine

Chemical Property:

• Vapor Pressure: 5.27E-25mmHg at 25°C
• Boiling Point: 736°Cat760mmHg
• PKA: 0.91±0.50(Predicted)
• Flash Point: 398.9°C
• PSA: 276.99000
• Density: 2.13g/cm³
• LogP: -1.20130
• Storage Temp.: Hygroscopic, -20°C Freezer, Under inert atmosphere
• Solubility.: Water (Slightly)
• XLogP3: -7.2
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 9
• Exact Mass: 446.06038146
• Heavy Atom Count: 28
• Complexity: 746

Purity/Quality:

99%, ^*data from raw suppliers

Cytidine5’-DiphosphateEthanolamineDisodiumSalt ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

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
• Isomeric SMILES: C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OCCN)O)O
• Uses: Cytidine 5’-Diphosphate Ethanolamine Disodium Salt is an analog of Cytidine 5’-Diphosphate with an important role in the metabolism of phospholipides.

Technology Process of CDP-ethanolamine

There total 73 articles about CDP-ethanolamine 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: 83.0%

(E)-2-Octenal (2548-87-0) + diethyl <<(trimethylsilyl)oxy>carbonyl>methanephosphonate (66130-90-3) → (2E,4E)-deca-2,4-dienoic acid (30361-33-2)

Guidance literature:

With n-butyllithium; In tetrahydrofuran; benzene; at 20 ℃; for 1.5h;

DOI:10.1007/BF00958412

Reference yield: 83.0%

(2E,4E,10E,12E)-13-Phenyl-trideca-2,4,10,12-tetraenoic acid ethyl ester (177555-32-7) → (2E,4E)-deca-2,4-dienoic acid (30361-33-2)

Guidance literature:

With hydrogenchloride; lithium hydroxide; In water; acetone; for 1.5h; Heating;

DOI:10.1139/v96-046

Reference yield: 80.0%

(2E,4E)-Deca-2,4-dienoic acid butyl ester (3031-24-1,3031-25-2,28369-24-6,92371-00-1) → (2E,4E)-deca-2,4-dienoic acid (30361-33-2)

Guidance literature:

With sodium hydroxide; In 1,4-dioxane; water;

DOI:10.1016/S0040-4039(00)92198-1

upstream raw materials:

2-aminoethyl dihydrogen phosphate

cytidine monophosphate

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

(E)-2-Octenal

Downstream raw materials:

monosodium salt of cytidine(5')diphosphoethanolamine

Refernces

• 1、 Chourreu, Pablo,Gayon, Eric,Guerret, Olivier,Guillonneau, Lo?c,Lefèvre, Guillaume. "Stereoselective Cross-Coupling of Grignard Reagents and Conjugated Dienylbromides using Iron Salts with Magnesium Alkoxides". supporting information. p. 4701 - 4706. Retrieved 2021/09/10.
• 2、 Ghezal, Salma,Thomasson, Maggie S.,Lefebvre-Tournier, Isabelle,Périgaud, Christian,Macnaughtan, Megan A.,Roy, Béatrice. "CDP-Ethanolamine and CDP-Choline: One-pot synthesis and 31P NMR study". . p. 5306 - 5310. Retrieved 2015/01/16.