3,9-Dichloro-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane

Base Information

• Chemical Name: 3,9-Dichloro-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane
• CAS No.: 3643-70-7
• Molecular Formula: C5H8 Cl2 O4 P2
• Molecular Weight: 264.97
• Hs Code.: 2903890090
• European Community (EC) Number: 222-870-2
• DSSTox Substance ID: DTXSID20884001
• Nikkaji Number: J205.562G
• Wikidata: Q82862763
• Mol file: 3643-70-7.mol

Synonyms:3643-70-7;3,9-dichloro-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane;Dichloro pentaerythritol diphosphite;EINECS 222-870-2;3,9-Dichloro-2,4,8,10-tetraoxa-3,9-diphosphaspiro(5.5)undecane;2,4,8,10-Tetraoxa-3,9-diphosphaspiro(5.5)undecane, 3,9-dichloro-;2,4,8,10-Tetraoxa-3,9-diphosphaspiro[5.5]undecane, 3,9-dichloro-;C5H8Cl2O4P2;SCHEMBL1966845;C5-H8-Cl2-O4-P2;DTXSID20884001;3,9-dichloro 2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane;3,9-dichloro-2,4,8,10-tetraoxa-3, 9-diphosphaspiro[5.5]undecane;3,9-dichloro-2,4,8,10-tetraoxa-3, 9-diphosphaspiro-[5.5]undecane;3,9-dichloro-2,4,8,10-tetraoxa-3,9-diphosphaspiro-[5,5]-undecane

Chemical Property of 3,9-Dichloro-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane

Chemical Property:

• Vapor Pressure: 0.00116mmHg at 25°C
• Boiling Point: 309.5°Cat760mmHg
• Flash Point: 141°C
• PSA: 64.10000
• Density: g/cm³
• LogP: 2.99780
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 263.9274881
• Heavy Atom Count: 13
• Complexity: 156

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C2(COP(O1)Cl)COP(OC2)Cl
• Uses: Cyclic Diphosphorochloridite Pentaerythritol is an intermediate in the synthesis of 3,9-Bis(octadecyloxy)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane (B508898), proposed for use as high-performance additives in high-voltage Li-ion batteries.

Technology Process of 3,9-Dichloro-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane

There total 2 articles about 3,9-Dichloro-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane 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%

Pentaerythritol (115-77-5) → 3,9-dichloro-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5] undecane (3643-70-7)

Guidance literature:

With triethylamine; phosphorus trichloride; In toluene; at 20 ℃; for 12h;

DOI:10.1016/j.tetlet.2005.03.080

Reference yield:

→ 3,9-dichloro-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5] undecane (3643-70-7)

Guidance literature:

Pentaerythritalphosphit Ia, PCl3;

Reference yield: 99.6%

2,4-di-tert-Butylphenol (96-76-4) + 3,9-dichloro-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5] undecane (3643-70-7) → 3,9-bis(2,4-di-tert-butylphenoxy)-2,4,8,10-tetra-oxa-3,9-diphosphaspiro[5.5]-undecane (26741-53-7,87498-44-0)

Guidance literature:

In water; at 60 ℃; for 2h; Temperature; Time; Inert atmosphere;

upstream raw materials:

Pentaerythritol

Downstream raw materials:

3,9-diethoxy-2,4,8,10-tetraoxa-3,9-diphosphaspiro<5.5>undecane

3,9-diphenoxy-2,4,8,10-tetraoxa-3,9-diphospha-spiro[5.5]undecane

3.9-Bis-(3-phenyl-ureido)-2.4.8.10-tetraoxa-3.9-diphospha-spiro<5.5>undecan-3.9-disulfid

3,9-bis(2,4-di-tert-butylphenoxy)-2,4,8,10-tetra-oxa-3,9-diphosphaspiro[5.5]-undecane

Refernces

• 1、 -. "Catalyst ligand and preparation method and application thereof". Paragraph 0074-0076; 0084-0086. . Retrieved 2021/09/29.
• 2、 -. "Novel high-temperature-resistant phosphite antioxidant ST-636 and preparation method and application thereof". Paragraph 0047-0050. . Retrieved 2020/10/20.