Methyl-D-erythritol Phosphate

Base Information

• Chemical Name: Methyl-D-erythritol Phosphate
• CAS No.: 206440-72-4
• Molecular Formula: C5H13O7P
• Molecular Weight: 216.12600
• European Community (EC) Number: 691-697-6
• DSSTox Substance ID: DTXSID90332064
• Nikkaji Number: J865.583I
• Wikipedia: 2-C-Methylerythritol_4-phosphate
• Wikidata: Q2709086
• Metabolomics Workbench ID: 51029
• Mol file: 206440-72-4.mol

Synonyms:2-C-methyl-D-erythritol 4-phosphate;2-C-methyl-D-erythritol-4-phosphate;2-C-methylerythritol 4-phosphate;methyl-erythritol-4-phosphate

Chemical Property of Methyl-D-erythritol Phosphate

Chemical Property:

• Vapor Pressure: 1.76E-13mmHg at 25°C
• Boiling Point: 530.7±60.0 °C(Predicted)
• PKA: 1.86±0.10(Predicted)
• PSA: 137.26000
• Density: 1.668±0.06 g/cm3(Predicted)
• LogP: -1.80010
• Storage Temp.: ?20°C
• XLogP3: -3.3
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 216.03988975
• Heavy Atom Count: 13
• Complexity: 201

Purity/Quality:

99.90% ^*data from raw suppliers

2-C-Methyl-D-erythritol 4-phosphate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(CO)(C(COP(=O)(O)O)O)O
• Isomeric SMILES: C[C@](CO)([C@@H](COP(=O)(O)O)O)O
• Uses: A substrate for terpenoid biosynthesis; terpenoid biosynthesis enzyme Escherichia

Technology Process of Methyl-D-erythritol Phosphate

There total 25 articles about Methyl-D-erythritol Phosphate 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: 95.0%

2-O-benzyl-2-C-methyl-D-erythritol 4-dibenzylphosphate (270076-08-9) → 2-C-methyl-D-erythritol 4-phosphate (206440-72-4)

Guidance literature:

With hydrogen; palladium on activated charcoal; In ethanol; at 20 ℃; for 2h;

DOI:10.1016/S0040-4020(00)00065-X

Reference yield: 83.0%

2,3-O-isopropylidene-2-C-methyl-D-erythritol 4-dibenzyl phosphate (258518-31-9) → 2-C-methyl-D-erythritol 4-phosphate (206440-72-4)

Guidance literature:

With hydrogen; palladium on activated charcoal; In methanol; water; at 25 ℃; for 20h;

DOI:10.1021/jo9905118

Reference yield: 81.0%

C34H37O8P (1005155-51-0) → 2-C-methyl-D-erythritol 4-phosphate (206440-72-4)

Guidance literature:

With hydrogen; palladium dihydroxide; In ethanol;

DOI:10.1016/j.tetlet.2007.10.129

upstream raw materials:

Phosphoric acid mono-((2R,3S)-2,3-dihydroxy-4-oxo-pentyl) ester

2-O-benzyl-2-C-methyl-D-erythritol 4-dibenzylphosphate

2,3-O-isopropylidene-2-C-methyl-D-erythritol 4-dibenzyl phosphate

Phosphoric acid dibenzyl ester (4R,5S)-5-benzyloxymethyl-2,2,5-trimethyl-[1,3]dioxolan-4-ylmethyl ester

Downstream raw materials:

4-diphosphocytidyl-2-C-methylerythritol