3-(Fluoromethyl)-3-butenyl diphosphate

Base Information

• Chemical Name: 3-(Fluoromethyl)-3-butenyl diphosphate
• CAS No.: 99282-16-3
• Molecular Formula: C₅H₁₁FO₇P₂
• Molecular Weight: 264.084
• Hs Code.: 2905590090
• DSSTox Substance ID: DTXSID90912800
• Wikidata: Q82883200
• Mol file: 99282-16-3.mol

Synonyms:3-(fluoromethyl)-3-butenyl diphosphate;FIPP

Chemical Property of 3-(Fluoromethyl)-3-butenyl diphosphate

Chemical Property:

• Vapor Pressure: 1.49E-09mmHg at 25°C
• Boiling Point: 455.2°Cat760mmHg
• Flash Point: 229.1°C
• PSA: 132.91000
• Density: 1.6g/cm³
• LogP: 1.12850
• XLogP3: -1.1
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 7
• Exact Mass: 263.99640484
• Heavy Atom Count: 15
• Complexity: 311

Purity/Quality:

99%min ^*data from raw suppliers

3-(FLUOROMETHYL)-3-BUTENYL DIPHOSPHATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=C(CCOP(=O)(O)OP(=O)(O)O)CF

Technology Process of 3-(Fluoromethyl)-3-butenyl diphosphate

There total 2 articles about 3-(Fluoromethyl)-3-butenyl diphosphate 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: 74.0%

tris(tetra-n-butylammonium) hydrogen pyrophosphate (76947-02-9) + 3-(fluoromethyl)-3-buten-1-yl p-toluenesulfonate → 3-(fluoromethyl)-3-buten-1-yl diphosphate (99282-16-3)

Guidance literature:

for 3h; Ambient temperature;

DOI:10.1021/jo00375a005

Reference yield:

3(fluoromethyl)-3-buten-1-ol (104715-26-6) → 3-(fluoromethyl)-3-buten-1-yl diphosphate (99282-16-3)

Guidance literature:

Multi-step reaction with 2 steps

1: 85 percent / 4-(N,N-dimethylamino)pyridine / CH₂Cl₂ / 8 h

2: 74 percent / 3 h / Ambient temperature

With dmap; In dichloromethane;

DOI:10.1021/jo00375a005

upstream raw materials:

tris(tetra-n-butylammonium) hydrogen pyrophosphate

3(fluoromethyl)-3-buten-1-ol

Refernces