1-[4-(2-Methylbutan-2-yl)phenoxy]butan-2-yl prop-2-yn-1-yl sulfite

Base Information

• Chemical Name: 1-[4-(2-Methylbutan-2-yl)phenoxy]butan-2-yl prop-2-yn-1-yl sulfite
• CAS No.: 359-80-8
• Molecular Formula: C22H28 F2 O4
• Molecular Weight: 394.4521
• DSSTox Substance ID: DTXSID40275992,DTXSID70956368
• Nikkaji Number: J54.353E
• Mol file: 359-80-8.mol

Synonyms:Uniroyal C-912;Naugatuck C-912;U.S. Rubber C-912;1-[4-(2-methylbutan-2-yl)phenoxy]butan-2-yl prop-2-yn-1-yl sulfite;ENT 27,225;C-912;DTXSID40275992;DTXSID70956368;1-((4-((1,1-Dimethylpropyl)phenoxy)methyl)propyl) 2-propynyl sulfite;Sulfurous acid, 1-((p-tert-pentylphenoxy)methyl)propyl 2-propynyl ester;Sulfurous acid, 1-((4-(1,1-dimethylpropyl)phenoxy)methyl)propyl 2-propynyl ester

Chemical Property of 1-[4-(2-Methylbutan-2-yl)phenoxy]butan-2-yl prop-2-yn-1-yl sulfite

Chemical Property:

• Vapor Pressure: 6.02E-14mmHg at 25°C
• Boiling Point: 540.7°C at 760 mmHg
• Flash Point: 280.8°C
• Density: 1.29g/cm³
• XLogP3: 5.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 10
• Exact Mass: 338.15518048
• Heavy Atom Count: 23
• Complexity: 405

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCC(COC1=CC=C(C=C1)C(C)(C)CC)OS(=O)OCC#C

Technology Process of 1-[4-(2-Methylbutan-2-yl)phenoxy]butan-2-yl prop-2-yn-1-yl sulfite

There total 8 articles about 1-[4-(2-Methylbutan-2-yl)phenoxy]butan-2-yl prop-2-yn-1-yl sulfite 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:

21-acetoxy-9-fluoro-11β,17-dihydroxy-6α-methyl-pregna-1,4-diene-3,20-dione (432-33-7) → 9,21-difluoro-11β,17-dihydroxy-6α-methyl-pregna-1,4-diene-3,20-dione (359-80-8)

Guidance literature:

Multi-step reaction with 2 steps

1: aqueous methanol. KHCO₃

2: ueber mehrere Stufen

With potassium hydrogencarbonate;

Reference yield:

21-acetoxy-9-bromo-11β,17-dihydroxy-6α-methyl-pregna-1,4-diene-3,20-dione (93052-90-5) → 9,21-difluoro-11β,17-dihydroxy-6α-methyl-pregna-1,4-diene-3,20-dione (359-80-8)

Guidance literature:

Multi-step reaction with 4 steps

1: acetone; potassium acetate

2: CH₂Cl₂; water; HF

3: aqueous methanol. KHCO₃

4: ueber mehrere Stufen

With dichloromethane; hydrogen fluoride; water; potassium acetate; potassium hydrogencarbonate; acetone;

Reference yield:

21-acetoxy-9,11β-epoxy-17-hydroxy-6α-methyl-9β-pregna-1,4-diene-3,20-dione (115322-26-4) → 9,21-difluoro-11β,17-dihydroxy-6α-methyl-pregna-1,4-diene-3,20-dione (359-80-8)

Guidance literature:

Multi-step reaction with 3 steps

1: CH₂Cl₂; water; HF

2: aqueous methanol. KHCO₃

3: ueber mehrere Stufen

With dichloromethane; hydrogen fluoride; water; potassium hydrogencarbonate;

upstream raw materials:

21-fluoro-11β,17-dihydroxy-6α-methyl-pregna-1,4-diene-3,20-dione

9-fluoro-11β,17,21-trihydroxy-6α-methyl-pregna-1,4-diene-3,20-dione

Methylprednisolone

2-((6S,10R,13S)-17-hydroxy-6,10,13-trimethyl-3-oxo-6,7,8,10,12,13,14,15,16,17-decahydro-3H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl acetate