[(1,1-Difluoro-3-buten-1-yl)sulfanyl]benzene

Base Information

• Chemical Name: [(1,1-Difluoro-3-buten-1-yl)sulfanyl]benzene
• CAS No.: 776313-50-9
• Molecular Formula: C₁₀H₁₀F₂S
• Molecular Weight: 200.252
• DSSTox Substance ID: DTXSID00466869
• Nikkaji Number: J2.096.801J
• Wikidata: Q82293524
• Mol file: 776313-50-9.mol

Synonyms:776313-50-9;[(1,1-Difluoro-3-buten-1-yl)sulfanyl]benzene;DTXSID00466869;AG-H-10837

Chemical Property of [(1,1-Difluoro-3-buten-1-yl)sulfanyl]benzene

Chemical Property:

• PSA: 25.30000
• LogP: 3.94760
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 200.04712782
• Heavy Atom Count: 13
• Complexity: 162

Purity/Quality:

99%+ ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=CCC(F)(F)SC1=CC=CC=C1

Technology Process of [(1,1-Difluoro-3-buten-1-yl)sulfanyl]benzene

There total 12 articles about [(1,1-Difluoro-3-buten-1-yl)sulfanyl]benzene 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: 95.0%

[(bromodifluoromethyl)sulfanyl]benzene (78031-08-0) + allyl-trimethyl-silane (762-72-1) → 1,1-difluoro-3-butenyl phenyl sulfide (776313-50-9)

Guidance literature:

With silver hexafluoroantimonate; In dichloromethane; at -78 ℃; Inert atmosphere; Schlenk technique;

DOI:10.1021/ol402631t

Reference yield: 72.0%

allyltributylstanane (24850-33-7) + [(bromodifluoromethyl)sulfanyl]benzene (78031-08-0) → 1,1-difluoro-3-butenyl phenyl sulfide (776313-50-9)

Guidance literature:

With samarium diiodide; In tetrahydrofuran; at 0 - 20 ℃; for 2.25h;

DOI:10.1021/jo0489768

Reference yield: 71.0%

(allylsulfonyl)benzene (16212-05-8) + [(bromodifluoromethyl)sulfanyl]benzene (78031-08-0) → 1,1-difluoro-3-butenyl phenyl sulfide (776313-50-9)

Guidance literature:

With samarium diiodide; In tetrahydrofuran; at 0 - 20 ℃; for 2.25h;

DOI:10.1021/jo0489768

upstream raw materials:

(allylsulfonyl)benzene

[(bromodifluoromethyl)sulfanyl]benzene

allyl phenyl sulfoxide

allyltributylstanane

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