t-Butylphosphonate

Base Information

• Chemical Name: t-Butylphosphonate
• CAS No.: 4923-84-6
• Molecular Formula: C4H11O3P
• Molecular Weight: 138.103
• Hs Code.: 29319090
• DSSTox Substance ID: DTXSID101032342
• Nikkaji Number: J2.481.325H
• Mol file: 4923-84-6.mol

Synonyms:t-Butylphosphonate;tert-butylphosphonate;NSC 222650;DTXSID101032342;99097-88-8

Chemical Property of t-Butylphosphonate

Chemical Property:

• Vapor Pressure: 0.00503mmHg at 25°C
• Melting Point: 187-189oC(lit.)
• Boiling Point: 255.4°C at 760 mmHg
• PKA: pK1: 2.79;pK2: 8.88 (25°C)
• Flash Point: 108.3°C
• PSA: 67.34000
• Density: 1.213g/cm³
• LogP: 0.96260
• XLogP3: -0.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 136.02893114
• Heavy Atom Count: 8
• Complexity: 106

Purity/Quality:

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

tert-Butylphosphonic acid ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Organophosphates, Other
• Canonical SMILES: CC(C)(C)P(=O)([O-])[O-]
• Uses: tert-Butylphosphonic acid was used in preparation of:dinuclear dicationic vanadium(IV) complexesborophosphonate cageshexanuclear copper(II) cagessoluble molecular copper(II) phosphonates

Technology Process of t-Butylphosphonate

There total 2 articles about t-Butylphosphonate 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:

P,1,2-Tri-tert-butylhydrazidophosphonsaeure-tert-butylester (79371-20-3) → tert-butylphosphonic acid (4923-84-6) + tertbutylhydrazine hydrochloride (7400-27-3) + N,N'-di-tert-butylhydrazine hydrochloride (13952-70-0)

Guidance literature:

With hydrogenchloride; In benzene; at 0 ℃; Mechanism;

Reference yield:

P,1,2-Tri-tert-butylhydrazidophosphonsaeure-methylester (79371-16-7) → tert-butylphosphonic acid (4923-84-6) + tertbutylhydrazine hydrochloride (7400-27-3) + N,N'-di-tert-butylhydrazine hydrochloride (13952-70-0)

Guidance literature:

With hydrogenchloride; In water; at 80 ℃; for 7h; Mechanism; Heating;

Reference yield: 86.0%

tert-butylphosphonic acid (4923-84-6) + (p-isopropylphenyl)stibonic acid + water (7732-18-5) → [((p-i-PrC6H4)Sb)4(OH)4(t-BuPO3)6]

Guidance literature:

In acetonitrile; at 20 ℃; for 24h;

DOI:10.1039/c5dt03449c

upstream raw materials:

P,1,2-Tri-tert-butylhydrazidophosphonsaeure-tert-butylester

P,1,2-Tri-tert-butylhydrazidophosphonsaeure-methylester

Downstream raw materials:

Isobutane

isobutene

[Mn₅O₃(tert-butylphosphonate)2(PhCOO)5(1,10-phenanthroline)2]*H₂O*(acetonitrile)

Refernces