5,5-Dimethyl-2-phenoxy-1,3,2-dioxaphosphinane

Base Information

• Chemical Name: 5,5-Dimethyl-2-phenoxy-1,3,2-dioxaphosphinane
• CAS No.: 3057-08-7
• Molecular Formula: C11H15O3P
• Molecular Weight: 226.212
• Hs Code.: 2934999090
• European Community (EC) Number: 221-291-2
• NSC Number: 77106
• UNII: MW91E925E0
• DSSTox Substance ID: DTXSID6044646
• Nikkaji Number: J205.365I
• Wikidata: Q27284270
• ChEMBL ID: CHEMBL3182054
• Mol file: 3057-08-7.mol

Synonyms:5,5-Dimethyl-2-phenoxy-1,3,2-dioxaphosphinane;3057-08-7;5,5-Dimethyl-2-phenoxy-1,3,2-dioxaphosphorinane;1,3,2-Dioxaphosphorinane, 5,5-dimethyl-2-phenoxy-;NSC77106;DTXSID6044646;MW91E925E0;NSC-77106;Phosphorous acid, phenyl cyclic (2,2-dimethyltrimethylene) ester;1,3,2-Dioxaphosphorinane,5,5-dimethyl-2-phenoxy-;Weston PNPG;NCIOpen2_003910;UNII-MW91E925E0;SCHEMBL2379762;CHEMBL3182054;DTXCID4024646;Phenyl neopentylene glycol phosphite;EINECS 221-291-2;Tox21_302520;NSC 77106;AKOS024323244;NCGC00256665-01;CAS-3057-08-7;AI3-51078;Phosphorous acid,2-dimethyltrimethylene) ester;1,2-Dioxaphosphorinane, 5,5-dimethyl-2-phenoxy-;2-phenoxy-5,5-dimethyl-1,3,2-dioxaphosphorinane;5,5-Dimethyl-2-phenoxy-1,3,2-dioxaphosphinane #;Q27284270

Chemical Property of 5,5-Dimethyl-2-phenoxy-1,3,2-dioxaphosphinane

Chemical Property:

• Vapor Pressure: 0.0674mmHg at 25°C
• Boiling Point: 237.9 °C at 760 mmHg
• Flash Point: 115.2 °C
• PSA: 41.28000
• LogP: 3.36530
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 226.07588133
• Heavy Atom Count: 15
• Complexity: 192

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1(COP(OC1)OC2=CC=CC=C2)C

Technology Process of 5,5-Dimethyl-2-phenoxy-1,3,2-dioxaphosphinane

There total 5 articles about 5,5-Dimethyl-2-phenoxy-1,3,2-dioxaphosphinane 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: 90.0%

2-chloro-5,5-dimethyl-[1,3,2]dioxaphosphinane (2428-06-0) + phenol (108-95-2,27073-41-2) → 5,5-dimethyl-2-phenoxy-[1,3,2]dioxaphosphinane (3057-08-7)

Guidance literature:

With triethylamine; In toluene; at 0 ℃; for 0.5h;

Reference yield:

2-chloro-5,5-dimethyl-[1,3,2]dioxaphosphinane (2428-06-0) → 5,5-dimethyl-2-phenoxy-[1,3,2]dioxaphosphinane (3057-08-7)

Guidance literature:

Multi-step reaction with 2 steps

1: toluene / 8 h / -40 - 20 °C

2: water; potassium carbonate

With water; potassium carbonate; In toluene;

DOI:10.1021/op034058k

Reference yield:

2-(dimethylamino)-5,5-dimethyl-1,3,2-dioxaphosphorinane (56465-64-6) + phenol (108-95-2,27073-41-2) → 5,5-dimethyl-2-phenoxy-[1,3,2]dioxaphosphinane (3057-08-7)

Guidance literature:

With water; potassium carbonate; Reagent/catalyst;

DOI:10.1021/op034058k

upstream raw materials:

triphenyl phosphite

2,2-Dimethyl-1,3-propanediol

2-chloro-5,5-dimethyl-[1,3,2]dioxaphosphinane

phenol

Downstream raw materials:

5,5-dimethyl-1,3-dioxaphosphorinan-2-oxide

(CO)2Ni(P{(OCH₂)2C(CH₃)2}OC₆H₅)2

(CO)3NiP(OC₆H₅)(OCH₂)2C(CH₃)2

8,8-dimethyl-2-oxo-2-phenoxy-2λ⁵-[1,6,2]dioxaphosphonan-5-one

Refernces

• 1、 Satish Kumar,Kumaraswamy, Sudha,Said, Musa A.,Kumara Swamy. "Hydrolysis of Cyclic Phosphites/Phosphoramidites and Its Inhibition-Reversible Cyclization of Acyclic Phosphonate Salts to Cyclic Phosphites". supporting information. p. 925 - 928. Retrieved 2013/09/05.
• 2、 Khatib, F. el,Caminade, A. M.,Koenig, M.. "OZONIDES DU PHOSPHORE STABILITE ET STEREOCHIMIE". . p. 55 - 66. Retrieved 2007/10/02.