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

Base Information

• Chemical Name: 2-Chloro-5,5-dimethyl-1,3,2-dioxaphosphorinane
• CAS No.: 2428-06-0
• Molecular Formula: C5H10 Cl O2 P
• Molecular Weight: 168.56
• Hs Code.: 29310099
• European Community (EC) Number: 219-380-6
• UNII: Z7KH4HJ8VE
• DSSTox Substance ID: DTXSID1062411
• Nikkaji Number: J62.965K
• Wikidata: Q81990021
• Mol file: 2428-06-0.mol

Synonyms:2-Chloro-5,5-dimethyl-1,3,2-dioxaphosphorinane;2428-06-0;2-chloro-5,5-dimethyl-1,3,2-dioxaphosphinane;1,3,2-Dioxaphosphorinane, 2-chloro-5,5-dimethyl-;2-CHLORO-5 5-DIMETHYL-1 3 2-DIOXAPHOSPHO;EINECS 219-380-6;Phosphorochloridous acid, cyclic (2,2-dimethyltrimethylene) ester;Z7KH4HJ8VE;C5H10ClO2P;SCHEMBL8502916;C5-H10-Cl-O2-P;DTXSID1062411;MFCD27947949;AKOS015912854;2-chloro-5,5-dimethyl[1,3,2]dioxaphosphinane;5,5-dimethyl-2-chloro-1,3,2-dioxaphosphorinane;J-015432;2-Chloro-5,5-dimethyl-1,3,2-dioxaphosphorinane, 96%

Chemical Property of 2-Chloro-5,5-dimethyl-1,3,2-dioxaphosphorinane

Chemical Property:

• Vapor Pressure: 2.54mmHg at 25°C
• Refractive Index: n20/D 1.476(lit.)
• Boiling Point: 164.8°Cat760mmHg
• Flash Point: 53.5°C
• PSA: 32.05000
• Density: g/cm³
• LogP: 2.27750
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 168.0106942
• Heavy Atom Count: 9
• Complexity: 97.1

Purity/Quality:

97% ^*data from raw suppliers

2-Chloro-5,5-dimethyl-1,3,2-dioxaphosphorinane 96% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C
• Statements: 14-34
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(COP(OC1)Cl)C

Technology Process of 2-Chloro-5,5-dimethyl-1,3,2-dioxaphosphorinane

There total 5 articles about 2-Chloro-5,5-dimethyl-1,3,2-dioxaphosphorinane 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: 98.0%

2,2-Dimethyl-1,3-propanediol (126-30-7) → 2-chloro-5,5-dimethyl-[1,3,2]dioxaphosphinane (2428-06-0)

Guidance literature:

With phosphorus trichloride; In toluene; at 15 - 20 ℃; for 3h; Inert atmosphere;

Reference yield: 95.0%

3-tert-Butyl-4-hydroxyanisole (121-00-6,1341-82-8) + 2,2-Dimethyl-1,3-propanediol (126-30-7) → 2-chloro-5,5-dimethyl-[1,3,2]dioxaphosphinane (2428-06-0)

Guidance literature:

With anhydrous phosphorus trichloride; In toluene;

Reference yield:

5,5-dimethyl-2-H-1,3,2-dioxaphosphorinane (25236-29-7) → 2-chloro-5,5-dimethyl-[1,3,2]dioxaphosphinane (2428-06-0)

Guidance literature:

With tetrachlorosilane; triethylamine; In benzene; for 2h; Ambient temperature;

upstream raw materials:

2,2-Dimethyl-1,3-propanediol

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

2-chloro-1,3,2-dioxaphospholan

3-tert-Butyl-4-hydroxyanisole

Downstream raw materials:

1-Thiophenoxy-4,4-dimethyl-1-phospha-2,6-dioxacyclohexan

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

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

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

Refernces

• 1、 Yuan, Yong,Fan, Rui-Lan,Guo, Lai,Chen, Cong-Yan,Zhao, Qian-Qiong. "Solubilities of 1,3,2-dioxaphosphorinane-2-methanol-α,5,5-trimethyl-α-phenyl-2-oxide in selected solvents between 278.15 k and 343.15 k". . p. 729 - 733. Retrieved 2015.
• 2、 Huang, Yande,Bentrude, Wesley G.. "Conformational equilibria of phosphoranes with 5-alkyl-substituted 1,3,2-dioxaphosphorinane rings attached diequatorially to five-coordinated phosphorus. Are boat/twist conformations populated?". . p. 12390 - 12396. Retrieved 1995.
• 3、 Salah, Nessrine,Arfaoui, Youssef,Bahri, Mohamed,Efrit, Mohamed Lotfi,Akacha, Azaiez Ben. "Synthese et etude conformationnelle par RMN (1H, 13C, 31P) et DFT des cycloalcoxyphosphinallenes et des hydrazones β-cycloalcoxyphosphonatees". . p. 609 - 622. Retrieved 2013/07/26.