tert-Butylphosphonic dichloride

Base Information

• Chemical Name: tert-Butylphosphonic dichloride
• CAS No.: 4707-95-3
• Molecular Formula: C4H9 Cl2 O P
• Molecular Weight: 174.995
• European Community (EC) Number: 623-583-9
• DSSTox Substance ID: DTXSID40369906
• Nikkaji Number: J283.759E
• Wikidata: Q72504097
• Mol file: 4707-95-3.mol

Synonyms:tert-Butylphosphonic dichloride;4707-95-3;2-dichlorophosphoryl-2-methylpropane;tert-Butyldichlorophosphine oxide;Tert-butylphosphonicdichloride;t-butylphosphonic dichloride;tert-Butylphosphonyl dichloride;SCHEMBL2050613;DTXSID40369906;OQUGNSMOWJIYMO-UHFFFAOYSA-N;MFCD00012289;tert-Butylphosphonic dichloride, 98%;AKOS015912695;BP-21482;B5729;CS-0108694;FT-0635407;Phosphonic dichloride, (1,1-dimethylethyl)-;D89161

Chemical Property of tert-Butylphosphonic dichloride

Chemical Property:

• Vapor Pressure: 0.596mmHg at 25°C
• Melting Point: 121-123oC(lit.)
• Boiling Point: 195.2°C at 760 mmHg
• Flash Point: 71.8°C
• PSA: 26.88000
• Density: 1.236g/cm³
• LogP: 3.45560
• Sensitive.: Moisture Sensitive
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 173.9768073
• Heavy Atom Count: 8
• Complexity: 121

Purity/Quality:

98% ^*data from raw suppliers

tert-Butylphosphonic Dichloride >98.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 34
• Safety Statements: 26-27-28-36/37/39-45

MSDS Files:

Useful:

• Canonical SMILES: CC(C)(C)P(=O)(Cl)Cl

Technology Process of tert-Butylphosphonic dichloride

There total 2 articles about tert-Butylphosphonic dichloride 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-3,3-dimethyl-1-butene (27843-27-2) → tert-butyl phosphinyl dichloride (4707-95-3) + chloroacetyl chloride (79-04-9)

Guidance literature:

With oxygen; phosphorus trichloride; at -10 - 10 ℃;

Reference yield:

4,4-dimethyl-2-pentyne (999-78-0) → methylphosphonic acid dichloroanhydride (676-97-1) + tert-butyl phosphinyl dichloride (4707-95-3) + (2-chloro-5,5-dimethyl-3-penten-3-yl)phosphonic dichloride

Guidance literature:

With oxygen; phosphorus trichloride; Yield given. Yields of byproduct given;

Reference yield: 96.9%

tert-butyl phosphinyl dichloride (4707-95-3) + 3,4-difluorophenol (2713-33-9) → tert-butylphosphonic acid di(3,4-difluorophenyl) ester (1224895-74-2)

Guidance literature:

3,4-difluorophenol; With sodium hydride; In tetrahydrofuran; at 0 ℃; for 1h;

tert-butyl phosphinyl dichloride; In tetrahydrofuran;

DOI:10.1002/adsc.200900304

upstream raw materials:

4,4-dimethyl-2-pentyne

2-chloro-3,3-dimethyl-1-butene

Downstream raw materials:

tert-butyl-phosphonic acid ethyl ester-(4-nitro-phenyl ester)

tert-butylphosphonothioic dichloride

tert-Butylphosphonsaeure-(3,5-di-tert-butyl-2-hydroxyphenyl)ester

N-(S)-α-phenylethyl-P-t-butylphosphonamidic acid

Refernces

• 1、 Dogadina, A. V.,Efanov, V. A.,Belykh, O. A.,Komarov, V. Ya.,Ionin, B. I.,Petrov, A. A.. "COURSE OF REACTIONS OF UNSATURATED HALIDES WITH PHOSPHORUS TRICHLORIDE AND OXYGEN UNDER OXIDATIVE-CHLOROPHOSPHORYLATION CONDITIONS". . p. 706 - 713. Retrieved 2007/10/02.