Chloro-[2,2,2-tribromo-1-(4-tert-butyl-2-chlorophenyl)ethoxy]phosphinate

Base Information

• Chemical Name: Chloro-[2,2,2-tribromo-1-(4-tert-butyl-2-chlorophenyl)ethoxy]phosphinate
• CAS No.: 69919-18-2
• Molecular Formula: C12H14Br3Cl2O3P
• Molecular Weight: 547.829521
• DSSTox Substance ID: DTXSID40703503
• Mol file: 69919-18-2.mol

Synonyms:chloro-[2,2,2-tribromo-1-(4-tert-butyl-2-chlorophenyl)ethoxy]phosphinate;DTXSID40703503

Chemical Property of Chloro-[2,2,2-tribromo-1-(4-tert-butyl-2-chlorophenyl)ethoxy]phosphinate

Chemical Property:

• Boiling Point: 441.3±55.0 °C(Predicted)
• PSA: 59.17000
• Density: 1.888±0.06 g/cm3(Predicted)
• LogP: 7.31110
• XLogP3: 5.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 544.75090
• Heavy Atom Count: 21
• Complexity: 403

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

4-TERT-BUTYL-2-CHLOROPHENYL-2,2,2-TRIBROMOETHYL PHOSPHOROCHLORIDATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)C1=CC(=C(C=C1)C(C(Br)(Br)Br)OP(=O)([O-])Cl)Cl

Technology Process of Chloro-[2,2,2-tribromo-1-(4-tert-butyl-2-chlorophenyl)ethoxy]phosphinate

There total 2 articles about Chloro-[2,2,2-tribromo-1-(4-tert-butyl-2-chlorophenyl)ethoxy]phosphinate 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:

2,2,2-tribromoethanol (75-80-9) + C10H12Cl3O2P (15516-32-2) → 2,2,2,-tribromoethyl 2-chloro-4-tert-butylphenyl phosphorochloridate (69919-18-2)

Guidance literature:

With 5-chloro-1-ethyl-2-methyl-1H-imidazole; In 1,4-dioxane; at 150 ℃;

DOI:10.1055/s-1979-28592

Reference yield:

2-chloro-4-tert-butylphenol (98-28-2) → 2,2,2,-tribromoethyl 2-chloro-4-tert-butylphenyl phosphorochloridate (69919-18-2)

Guidance literature:

Multi-step reaction with 2 steps

1: POCl₃, 5-chloro-1-ethyl-2-methyl-1H-imidazole / 150 °C

2: 5-chloro-1-ethyl-2-methyl-1H-imidazole / dioxane / 150 °C

With 5-chloro-1-ethyl-2-methyl-1H-imidazole; trichlorophosphate; In 1,4-dioxane;

DOI:10.1055/s-1979-28592

Reference yield: 80.0%

2,2,2,-tribromoethyl 2-chloro-4-tert-butylphenyl phosphorochloridate (69919-18-2) + 2'-O-(tetrahydro-4-methoxy-2H-pyran-4-yl)uridine (17327-23-0) → 2'-O-(4-methoxytetrahydro-4-pyranyl)uridine-5'-O-(2,2,2-tribromoethyl 4-tert-butyl-2-chlorophenyl phosphate) (83841-40-1)

Guidance literature:

With 1-methyl-1H-imidazole; In acetonitrile; at 20 ℃; for 2h;

upstream raw materials:

2,2,2-tribromoethanol

C₁₀H₁₂Cl₃O₂P

2-chloro-4-tert-butylphenol

Downstream raw materials:

2'-O-(4-methoxytetrahydropyran-4-yl)adenosine

5'-O-levulinyl-2'-O-(methoxytetrahydropyranyl)-2-N-benzoylguanosine 3'-O-(2,2,2-tribromoethyl 2-chloro-4-tert-butylphenyl phosphate)

5'-O-levulinyl-2'-O-(methoxytetrahydropyranyl)-6-N-(p-anisoyl)adenosine 3'-O-(2,2,2-tribromoethyl 2-chloro-4-tert-butylphenyl phosphate)

5'-O-levulinyl-2'-O-(methoxytetrahydropyranyl)-2-N-(diphenylacetyl)guanosine 3'-O-(2,2,2-tribromoethyl 2-chloro-4-tert-butylphenyl phosphate)

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