5 5-DIMETHYL-1 3 2-DIOXAPHOSPHORINAN-2-&

Base Information

• Chemical Name: 5 5-DIMETHYL-1 3 2-DIOXAPHOSPHORINAN-2-&
• CAS No.: 4090-60-2
• Deprecated CAS: 873013-31-1
• Molecular Formula: C5H11 O3 P
• Molecular Weight: 150.114
• Hs Code.: 2934999090
• European Community (EC) Number: 223-832-8
• DSSTox Substance ID: DTXSID4063292
• Wikidata: Q81990637
• Mol file: 4090-60-2.mol

Synonyms:1,3-Propanediol,2,2-dimethyl-, cyclic phosphonate (6CI,7CI,8CI); Phosphonic acid, cyclic2,2-dimethyltrimethylene ester (8CI); 2,2-Dimethyl-1,3-propanediol cyclicphosphite; 2,2-Dimethylpropane-1,3-diol cyclic phosphonate;2,2-Dimethyltrimethylene phosphonate; 5,5-Dimethyl-1,3,2-dioxaphosphorinane2-oxide; 5,5-Dimethyl-2-oxido-1,3,2-dioxaphosphorinane; Cyclic 2,2-dimethyltrimethylenephosphonate; Neopentylene phosphite; Neopentylglycol hydrogen phosphite

Chemical Property of 5 5-DIMETHYL-1 3 2-DIOXAPHOSPHORINAN-2-&

Chemical Property:

• Vapor Pressure: 1.043mmHg at 25°C
• Melting Point: 51-56 °C(lit.)
• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 59.00000
• Density: g/cm³
• LogP: 1.20150
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 149.03675617
• Heavy Atom Count: 9
• Complexity: 120

Purity/Quality:

98%,99%, ^*data from raw suppliers

5,5-Dimethyl-1,3,2-dioxaphosphorinan-2-one 96% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C
• Statements: 34
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1(CO[P+](=O)OC1)C
• Uses: Reactant for:Palladium(I) catalyzed addition of P(O)-H bondsHighly regioselective modified Pudovik addition reactionRadical reactions mediated by manganese(III) acetateStable cyclic DEPMPO derivatives as mechanistic markers of stereoselective hydroxyl radical adduct formation in biological systemsCopper-catalyzed aerobic oxidative dehydrogenative coupling reactionsBisphosphonates/phosphanamidates as anticancer agents

Technology Process of 5 5-DIMETHYL-1 3 2-DIOXAPHOSPHORINAN-2-&

There total 20 articles about 5 5-DIMETHYL-1 3 2-DIOXAPHOSPHORINAN-2-& 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: 100.0%

2,2-Dimethyl-1,3-propanediol (126-30-7) → 5,5-dimethyl-1,3-dioxaphosphorinan-2-oxide (4090-60-2)

Guidance literature:

With phosphonic Acid; In toluene; for 18h; Dean-Stark; Reflux;

Reference yield: 100.0%

tetramethylphosphorodiamidous acid (5843-26-5) + 2,2-Dimethyl-1,3-propanediol (126-30-7) → 5,5-dimethyl-1,3-dioxaphosphorinan-2-oxide (4090-60-2)

Guidance literature:

In tetrahydrofuran; at 70 ℃; for 2h; Inert atmosphere;

DOI:10.1016/j.bmc.2011.02.040

Reference yield: 98.0%

2-chloro-5,5-dimethyl-[1,3,2]dioxaphosphinane (2428-06-0) → 5,5-dimethyl-1,3-dioxaphosphorinan-2-oxide (4090-60-2)

Guidance literature:

With water; at 20 ℃; for 12h;

DOI:10.1021/jo991946y

upstream raw materials:

2,2-Dimethyl-1,3-propanediol

phosphonic acid diethyl ester

phosphinic acid 3-hydroxy-2,2-dimethyl-propyl ester

5,5-dimethyl-2-H-1,3,2-dioxaphosphorinane

Downstream raw materials:

N-[(5,5-Dimethyl-2-oxo-2λ⁵-[1,3,2]dioxaphosphinan-2-yl)-phenyl-methyl]-N'-[1-phenyl-meth-(E)-ylidene]-hydrazine

acetone

phenol

2-acetonyl-5,5-dimethyl-2-oxo-1,3,2-dioxaphosphorinane

Refernces

• 1、 -. "Phosphorus-nitrogen-containing polyether polyol compound as well as preparation method and application thereof". Paragraph 0196-0199. . Retrieved 2021/06/06.
• 2、 Zhang, Shasha,Guo, Xinjuan,Zhou, Yuan,Yang, Yalan,Peng, Hao,He, Hongwu. "Design, synthesis and herbicidal activity of novel cyclic phosphonates with diaryl ethers containing pyrimidine". supporting information. p. 1158 - 1163. Retrieved 2019/07/04.