Azane;3-methylbut-3-enyl phosphono hydrogen phosphate

Base Information

• Chemical Name: Azane;3-methylbut-3-enyl phosphono hydrogen phosphate
• CAS No.: 116057-53-5
• Molecular Formula: C₅H₁₂O₇P₂*3H₃N
• Molecular Weight: 297.185
• DSSTox Substance ID: DTXSID80554011
• Mol file: 116057-53-5.mol

Synonyms:116057-53-5;azane;3-methylbut-3-enyl phosphono hydrogen phosphate;IPP;JREYOWJEWZVAOR-UHFFFAOYSA-N;DTXSID80554011;AKOS025294130;J-003376;3-Methylbut-3-en-1-yl trihydrogen diphosphate--ammonia (1/3)

Chemical Property of Azane;3-methylbut-3-enyl phosphono hydrogen phosphate

Chemical Property:

• Flash Point: 21 °C
• PSA: 142.63000
• LogP: 2.15060
• Storage Temp.: −20°C
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 6
• Exact Mass: 297.08547401
• Heavy Atom Count: 17
• Complexity: 293

Purity/Quality:

98%,99%, ^*data from raw suppliers

Isopentenyl pyrophosphate triammonium salt ^*data from reagent suppliers

Safty Information:

• Hazard Codes: T
• Statements: 10-23/24/25-39/23/24/25
• Safety Statements: 7-16-36/37-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=C)CCOP(=O)(O)OP(=O)(O)O.N.N.N
• Recent ClinicalTrials: Effect of Ile-Pro-Pro (IPP) on Endothelial Function in Patients With Coronary Artery Disease
• Uses: Isopentenyl Pyrophosphate Triammonium Salt can be used for the preparation of antitumor agents phosphohalohydrins. Intermediate in terpene biosynthesis.

Technology Process of Azane;3-methylbut-3-enyl phosphono hydrogen phosphate

There total 3 articles about Azane;3-methylbut-3-enyl phosphono hydrogen 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: 83.0%

isopentenyl tosylate (781-03-3) → isopentenyl pyrophosphate tris-ammonium salt (116057-53-5)

Guidance literature:

isopentenyl tosylate; With tris(tetra-n-butylammonium) hydrogen pyrophosphate; In acetonitrile; at 0 - 20 ℃; for 3h;

With ammonium bicarbonate; In water; isopropyl alcohol; acetonitrile;

Reference yield: 75.0%

isopentenyl tosylate (781-03-3) + tris(tetra-n-butylammonium) hydrogen pyrophosphate (76947-02-9) → isopentenyl pyrophosphate ammonium salt (116057-53-5)

Guidance literature:

In acetonitrile; at 0 - 20 ℃; for 24h;

Reference yield:

2-methyl-1-buten-4-ol (763-32-6) → isopentenyl pyrophosphate ammonium salt (116057-53-5)

Guidance literature:

Multi-step reaction with 2 steps

1: dmap / dichloromethane / 2 h / 0 °C

2: acetonitrile / 24 h / 0 - 20 °C

With dmap; In dichloromethane; acetonitrile;

upstream raw materials:

isopentenyl tosylate

tris(tetra-n-butylammonium) hydrogen pyrophosphate

2-methyl-1-buten-4-ol

Refernces

• 1、 -. "Phosphalohydrins and methods for medicinal administration". Page column 16-17. . Retrieved 2008/06/13.