4-Methyl-2,6,7-trioxa-1-phosphabicyclo[2.2.2]octane

Base Information

• Chemical Name: 4-Methyl-2,6,7-trioxa-1-phosphabicyclo[2.2.2]octane
• CAS No.: 1449-91-8
• Molecular Formula: C5H9 O3 P
• Molecular Weight: 148.098
• Hs Code.: 2902199090
• NSC Number: 58579
• UNII: LU8YV7C6MR
• DSSTox Substance ID: DTXSID10162840
• Nikkaji Number: J53.878G
• Wikidata: Q83031599
• Mol file: 1449-91-8.mol

Synonyms:Trimethylolethane cyclic phosphite;1449-91-8;4-Methyl-2,6,7-trioxa-1-phosphabicyclo[2.2.2]octane;1,3-PROPANEDIOL, 2-(HYDROXYMETHYL)-2-METHYL-, CYCLIC PHOSPHITE (1:1);2,6,7-Trioxa-1-phosphabicyclo(2.2.2)octane, 4-methyl-;NSC 58579;2-(Hydroxymethyl)-2-methyl-1,3-propanediol, cyclicphosphite (1:1);BRN 0970028;4-Methyl-2,6,7-trioxa-1-phosphabicyclo(2.2.2)octane;NSC58579;NSC-58579;2,6,7-Trioxa-1-phosphabicyclo[2.2.2]octane, 4-methyl-;LU8YV7C6MR;C5H9O3P;SCHEMBL5875753;DTXSID10162840;C5-H9-O3-P;WLN: T66 A B AO EOPOTJ C1;LS-120499;4-Methyl-2,7-trioxa-1-phosphabicyclo[2.2.2]octane;2,7-Trioxa-1-phosphabicyclo[2.2.2]octane, 4-methyl-;2-(Hydroxymethyl)-2-methyl-1, cyclicphosphite (1:1);4-Methyl-1-phospha-2,6,7-trioxabicyclo[2.2.2]octane;4-Methyl-2,6,7-trioxa-1-phospha-bicyclo[2.2.2]octane;1, 2-(hydroxymethyl)-2-methyl-, cyclic phosphite (1:1);4-Methyl-2,6, {7-trioxa-1-phosphabicyclo[2.2.2]octane};4-Methyl-2,6,7-trioxa-1-phosphabicyclo [2.2.2] octane;{2,6,7-Trioxa-1-phosphabicyclo[2.2.2]octane,} 4-methyl-;1, 3-Propanediol, 2-(hydroxymethyl)-2-methyl-, cyclic phosphite (1:1)

Chemical Property of 4-Methyl-2,6,7-trioxa-1-phosphabicyclo[2.2.2]octane

Chemical Property:

• Vapor Pressure: 16.6mmHg at 25°C
• Boiling Point: 122.7°C at 760 mmHg
• Flash Point: 25.1°C
• PSA: 41.28000
• LogP: 1.29660
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 148.02893114
• Heavy Atom Count: 9
• Complexity: 106

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC12COP(OC1)OC2

Technology Process of 4-Methyl-2,6,7-trioxa-1-phosphabicyclo[2.2.2]octane

There total 7 articles about 4-Methyl-2,6,7-trioxa-1-phosphabicyclo[2.2.2]octane 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: 97.1%

C20H39O9P3 → 2,2'-(2,2-dimethyl-1,3-propanedioxy)-5,5-dimethyl-1,3,2-dioxaphosphorinane-5',5'-dimethyl-1',3',2'-dioxaphosphorinane (59609-05-1) + 4-methyl-2,6,7-trioxa-1-phosphabicyclo-[2,2,2]-octane (1449-91-8)

Guidance literature:

at 100 - 105 ℃; for 16h; under 1 Torr;

Reference yield: 71.0%

C23H21O9P3 (100277-68-7) → 4-methyl-2,6,7-trioxa-1-phosphabicyclo-[2,2,2]-octane (1449-91-8)

Guidance literature:

Reference yield: 65.0%

2-(hydroxymethyl)-2-methylpropane-1,3-diol (77-85-0) → 4-methyl-2,6,7-trioxa-1-phosphabicyclo-[2,2,2]-octane (1449-91-8)

Guidance literature:

With phosphorus trichloride; In chloroform; Heating;

DOI:10.1023/A:1024217727932

upstream raw materials:

2,6,7-trioxa-1,4-diphospha-bicyclo[2.2.2]octane

C₂₃H₂₁O₉P₃

2-(hydroxymethyl)-2-methylpropane-1,3-diol

triethyl phosphite

Downstream raw materials:

Re(CO)4(1-methyl-4-phospha-3,5,8-trioxabicyclo{2.2.2}octane)Cl

Cl₃CC₆H₅C(C₆H₅)2

{COFe(P(OCH₂)3CCH₃)3N₂C₆H₅}⁽¹⁺⁾*BF₄^(1-)={COFe(P(OCH₂)3CCH₃)3N₂C₆H₅}BF₄