Phosphonic acid, ethenylidenebis-, tetrakis(1-methylethyl) ester

Base Information

• Chemical Name: Phosphonic acid, ethenylidenebis-, tetrakis(1-methylethyl) ester
• CAS No.: 48074-47-1
• Molecular Formula: C14H30 O6 P2
• Molecular Weight: 356.3319
• European Community (EC) Number: 694-693-2
• DSSTox Substance ID: DTXSID90963993
• Nikkaji Number: J1.315.385J
• Wikidata: Q82945894
• Mol file: 48074-47-1.mol

Synonyms:48074-47-1;Phosphonic acid, ethenylidenebis-, tetrakis(1-methylethyl) ester;2-[1-di(propan-2-yloxy)phosphorylethenyl-propan-2-yloxyphosphoryl]oxypropane;Tetraisopropyl vinylidenediphosphonate;SCHEMBL10395342;DTXSID90963993;IPUAADANTWKVJD-UHFFFAOYSA-N;tetraisopropyl ethenylidenebisphosphonate;Phosphonic acid, P,P'-ethenylidenebis-, P,P,P',P'-tetrakis(1-methylethyl) ester;Tetrapropan-2-yl ethene-1,1-diylbis(phosphonate);Ethene-1,1-diyldiphosphonic acid tetraisopropyl ester;Tetraisopropyl vinylidenediphosphonate, technical grade, 70%

Chemical Property of Phosphonic acid, ethenylidenebis-, tetrakis(1-methylethyl) ester

Chemical Property:

• Vapor Pressure: 1.2E-06mmHg at 25°C
• Boiling Point: 412.8°Cat760mmHg
• Flash Point: 216.9°C
• PSA: 90.68000
• Density: 1.08g/cm³
• LogP: 5.54380
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 10
• Exact Mass: 356.15176267
• Heavy Atom Count: 22
• Complexity: 388

Purity/Quality:

99% ^*data from raw suppliers

Tetraisopropyl vinylidenediphosphonate technical grade, 70% ^*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: CC(C)OP(=O)(C(=C)P(=O)(OC(C)C)OC(C)C)OC(C)C

Technology Process of Phosphonic acid, ethenylidenebis-, tetrakis(1-methylethyl) ester

There total 4 articles about Phosphonic acid, ethenylidenebis-, tetrakis(1-methylethyl) ester 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%

Tetraisopropyl methylenediphosphonate (1660-95-3) + formaldehyd (50-00-0,30525-89-4,61233-19-0) → tetraisopropyl ethenylidenebis(phosphonate) (48074-47-1)

Guidance literature:

formaldehyd; With diethylamine; In methanol; Reflux;

Tetraisopropyl methylenediphosphonate; In methanol; for 144h; Reflux;

With toluene-4-sulfonic acid; In toluene; for 40h; Reflux;

DOI:10.1021/acs.jmedchem.1c00887

Reference yield: 58.0%

Tetraisopropyl methylenediphosphonate (1660-95-3) + N,N'-diethylmethanediamine (4410-92-8) → tetraisopropyl ethenylidenebis(phosphonate) (48074-47-1)

Guidance literature:

With hydroquinone; at 170 - 180 ℃;

Reference yield:

Tetraisopropyl methylenediphosphonate (1660-95-3) → tetraisopropyl ethenylidenebis(phosphonate) (48074-47-1)

Guidance literature:

With dimethyl amine; paraformaldehyde;

upstream raw materials:

Tetraisopropyl methylenediphosphonate

N,N'-diethylmethanediamine

formaldehyd

Downstream raw materials:

C₂₄H₄₄N₂O₆P₂

C₂₄H₄₄N₂O₇P₂

C₂₀H₃₇NO₇P₂

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