2-(4-Nitro-3-((phenylsulfonyl)methyl)phenyl)-1,3-dioxolane

Base Information

• Chemical Name: 2-(4-Nitro-3-((phenylsulfonyl)methyl)phenyl)-1,3-dioxolane
• CAS No.: 89303-15-1
• Molecular Formula: C16H15NO6S
• Molecular Weight: 349.35800
• DSSTox Substance ID: DTXSID10363097
• Wikidata: Q82146663
• ChEMBL ID: CHEMBL1589495
• Mol file: 89303-15-1.mol

Synonyms:89303-15-1;2-(4-Nitro-3-((phenylsulfonyl)methyl)phenyl)-1,3-dioxolane;2-{4-nitro-3-[(phenylsulfonyl)methyl]phenyl}-1,3-dioxolane;MLS000707161;CHEMBL1589495;2-[3-(benzenesulfonylmethyl)-4-nitrophenyl]-1,3-dioxolane;DTXSID10363097;HMS2648D15;MFCD00794649;AKOS005090089;SMR000334547;4J-932;2-(4-nitro-3-(phenylsulfonylmethyl)phenyl)-1,3-dioxolane;2-{3-[(benzenesulfonyl)methyl]-4-nitrophenyl}-1,3-dioxolane

Chemical Property of 2-(4-Nitro-3-((phenylsulfonyl)methyl)phenyl)-1,3-dioxolane

Chemical Property:

• PSA: 106.80000
• LogP: 4.21810
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 349.06200837
• Heavy Atom Count: 24
• Complexity: 528

Purity/Quality:

2-(4-NITRO-3-[(PHENYLSULFONYL)METHYL]PHENYL)-1,3-DIOXOLANE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1COC(O1)C2=CC(=C(C=C2)[N+](=O)[O-])CS(=O)(=O)C3=CC=CC=C3

Technology Process of 2-(4-Nitro-3-((phenylsulfonyl)methyl)phenyl)-1,3-dioxolane

There total 3 articles about 2-(4-Nitro-3-((phenylsulfonyl)methyl)phenyl)-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: 76.0%

2-(4-nitrophenyl)-1,3-dioxolane (2403-53-4) + chloromethyl phenyl sulfone (7205-98-3) → 2-(3-Benzenesulfonylmethyl-4-nitro-phenyl)-[1,3]dioxolane (89303-15-1)

Guidance literature:

With potassium hydroxide; In dimethyl sulfoxide; for 1h; Ambient temperature;

DOI:10.1021/jo00183a003

Reference yield:

sodium benzenesulfonate (873-55-2) → 2-(3-Benzenesulfonylmethyl-4-nitro-phenyl)-[1,3]dioxolane (89303-15-1)

Guidance literature:

Multi-step reaction with 2 steps

1: 59 percent / dimethylsulfoxide / 4 h / Heating

2: 76 percent / KOH / dimethylsulfoxide / 1 h / Ambient temperature

With potassium hydroxide; In dimethyl sulfoxide;

DOI:10.1021/jo00183a003

Reference yield:

para-methoxynitrobenzene (100-17-4) + 2-(4-nitrophenyl)-1,3-dioxolane (2403-53-4) + chloromethyl phenyl sulfone (7205-98-3) → 4-methoxy-1-nitro-2-[(phenylsulfonyl)methyl]benzene (69709-39-3) + 2-(3-Benzenesulfonylmethyl-4-nitro-phenyl)-[1,3]dioxolane (89303-15-1)

Guidance literature:

With potassium tert-butylate; In tetrahydrofuran; N,N-dimethyl-formamide; at -40 ℃; for 0.00416667h; Inert atmosphere;

DOI:10.1002/chem.200800821

upstream raw materials:

2-(4-nitrophenyl)-1,3-dioxolane

chloromethyl phenyl sulfone

sodium benzenesulfonate

para-methoxynitrobenzene

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