1,3,2-Dioxaphosphorinane, 2,2'-oxybis[5,5-dimethyl-, 2,2'-disulfide

Base Information

• Chemical Name: 1,3,2-Dioxaphosphorinane, 2,2'-oxybis[5,5-dimethyl-, 2,2'-disulfide
• CAS No.: 4090-51-1
• Deprecated CAS: 70323-50-1,2125480-75-1
• Molecular Formula: C10H20 O5 P2 S2
• Molecular Weight: 346.345
• Hs Code.: 2934999090
• European Community (EC) Number: 223-829-1
• UNII: NZ339B63J4
• DSSTox Substance ID: DTXSID4063290
• Nikkaji Number: J93.720G,J3.543.870J
• Wikidata: Q81990634
• Mol file: 4090-51-1.mol

Synonyms:4090-51-1;EINECS 223-829-1;1,3,2-Dioxaphosphorinane, 2,2'-oxybis[5,5-dimethyl-, 2,2'-disulfide;NZ339B63J4;2,2'-Oxybis[5,5-dimethyl-1,3,2-dioxaphosphorinane] 2,2'-disulphide;1,3,2-Dioxaphosphorinane, 2,2'-oxybis(5,5-dimethyl-, 2,2'-disulfide;EC 223-829-1;2-[(5,5-dimethyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinan-2-yl)oxy]-5,5-dimethyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinane;2,2'-Oxybis(5,5-dimethyl-1,3,2-dioxaphosphorinane) 2,2'-disulphide;Sandoflam 5060;SCHEMBL30410;UNII-NZ339B63J4;DTXSID4063290;C10H20O5P2S2;C10-H20-O5-P2-S2;J3.543.870J;W-109947;2,2'-Oxybis(5,5-dimethyl-1,3,2-dioxaphosphorinane 2-sulfide);1-[(4,4-Dimethyl-1-sulfanylidene-2,6-dioxa-1lambda5-phosphacyclohex-1-yl)oxy]-4,4-dimethyl-1-sulfanylidene-2,6-dioxa-1lambda5-phosphacyclohexane;2-((5,5-DIMETHYL-2-SULFANYLIDENE-1,3,2.LAMBDA.5-DIOXAPHOSPHINAN-2-YL)OXY)-5,5-DIMETHYL-2-SULFANYLIDENE-1,3,2.LAMBDA.5-DIOXAPHOSPHINANE

Chemical Property of 1,3,2-Dioxaphosphorinane, 2,2'-oxybis[5,5-dimethyl-, 2,2'-disulfide

Chemical Property:

• Vapor Pressure: 0Pa at 25℃
• Melting Point: 233 °C
• Boiling Point: 342.6°Cat760mmHg
• Flash Point: 161°C
• PSA: 129.95000
• Density: 1.35g/cm³
• LogP: 4.89920
• Water Solubility.: 1.4mg/L at 20℃
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 2
• Exact Mass: 346.02274008
• Heavy Atom Count: 19
• Complexity: 383

Purity/Quality:

99.9% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1(COP(=S)(OC1)OP2(=S)OCC(CO2)(C)C)C
• Uses: Sandoflam 5060 is a flame retardant.

Technology Process of 1,3,2-Dioxaphosphorinane, 2,2'-oxybis[5,5-dimethyl-, 2,2'-disulfide

There total 4 articles about 1,3,2-Dioxaphosphorinane, 2,2'-oxybis[5,5-dimethyl-, 2,2'-disulfide 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: 90.2%

2-chloro-5,5-dimethyl-1,3,2-dioxaphosphorinane-2-thione (873-98-3) → 5,5,5',5'-tetramethyl-2,2'-oxy-bis-[1,3,2]dioxaphosphinane 2,2'-disulfide (4090-51-1)

Guidance literature:

With pyridine; water; at 100 ℃; for 5h; Temperature; Reagent/catalyst;

Reference yield:

3-Methylpyridine (108-99-6) + 2,2-Dimethyl-1,3-propanediol (126-30-7) → 5,5,5',5'-tetramethyl-2,2'-oxy-bis-[1,3,2]dioxaphosphinane 2,2'-disulfide (4090-51-1) + 3-methylpyridinium chloride (14401-92-4)

Guidance literature:

With trichlorothiophosphine; water; at 50 - 60 ℃; Product distribution / selectivity;

Reference yield:

Bis<5,5-dimethyl-2-oxo-P(V)-1,3,2-dioxaphosphorinan-2-yl> disulphide (15995-44-5) → 5,5-dimethyl-2-oxo-1,3,2-dioxaphosphorinan-2-yl 5,5-dimethyl-2-thioxo-1,3,2-dioxaphosphorinan-2-yl-oxide (15762-04-6) + 5,5,5',5'-tetramethyl-2,2'-oxy-bis-[1,3,2]dioxaphosphinane 2,2'-disulfide (4090-51-1)

Guidance literature:

With triphenylphosphine; In dichloromethane; Title compound not separated from byproducts; 1.) -70 deg C -> room temperature, 2.) room temperature, 30 min;

upstream raw materials:

Bis<5,5-dimethyl-2-oxo-P(V)-1,3,2-dioxaphosphorinan-2-yl> disulphide

3-Methylpyridine

2,2-Dimethyl-1,3-propanediol

2-chloro-5,5-dimethyl-1,3,2-dioxaphosphorinane-2-thione

Refernces

• 1、 -. "PROCESS FOR THE PRODUCTION OF ORGANIC DITHIOPYROPHOSPHATES". Page/Page column 5. . Retrieved 2010/05/14.