2-[3-(Benzenesulfonyl)-3-(2,5-difluorophenyl)hex-5-enyl]-1,3-dioxolane

Base Information

• Chemical Name: 2-[3-(Benzenesulfonyl)-3-(2,5-difluorophenyl)hex-5-enyl]-1,3-dioxolane
• CAS No.: 893413-02-0
• Molecular Formula: C₂₁H₂₂F₂O₄S
• Molecular Weight: 408.466
• DSSTox Substance ID: DTXSID501149357
• Nikkaji Number: J2.324.787I
• Mol file: 893413-02-0.mol

Synonyms:DTXSID501149357;893413-02-0;2-[3-(2,5-Difluorophenyl)-3-(phenylsulfonyl)-5-hexen-1-yl]-1,3-dioxolane

Chemical Property of 2-[3-(Benzenesulfonyl)-3-(2,5-difluorophenyl)hex-5-enyl]-1,3-dioxolane

Chemical Property:

• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 8
• Exact Mass: 408.12068668
• Heavy Atom Count: 28
• Complexity: 608

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C=CCC(CCC1OCCO1)(C2=C(C=CC(=C2)F)F)S(=O)(=O)C3=CC=CC=C3

Technology Process of 2-[3-(Benzenesulfonyl)-3-(2,5-difluorophenyl)hex-5-enyl]-1,3-dioxolane

There total 1 articles about 2-[3-(Benzenesulfonyl)-3-(2,5-difluorophenyl)hex-5-enyl]-1,3-dioxolane 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: 74.0%

2-bromo-2-(2-ethyl)dioxolane (18742-02-4) + allyl bromide (106-95-6) + 2,5-difluorobenzyl phenyl sulfone (705966-17-2) → 2-[3-phenyl-3-(2,5-difluorophenylsulfonyl)hex-5-en-1-yl]-1,3-dioxolane (893413-02-0)

Guidance literature:

Multistep reaction.;

DOI:10.1039/b601647b

Reference yield:

2-[3-phenyl-3-(2,5-difluorophenylsulfonyl)hex-5-en-1-yl]-1,3-dioxolane (893413-02-0) → cis-5-phenyl-5-(2,5-difluorophenylsulfonyl)-3,3a,4,5,6,7-hexahydro-2,1-benzisoxazole

Guidance literature:

Multi-step reaction with 2 steps

1: H₂NOH*HCl; H₂O / acetonitrile / 4.5 h / 60 °C

2: 2.13 g / chloramine T monohydrate / acetonitrile / 25 °C

With hydroxylamine hydrochloride; water; In acetonitrile;

DOI:10.1039/b601647b

upstream raw materials:

2-bromo-2-(2-ethyl)dioxolane

allyl bromide

2,5-difluorobenzyl phenyl sulfone