7-nitrodibenzofuran-2-sulfonyl Chloride

Base Information

• Chemical Name: 7-nitrodibenzofuran-2-sulfonyl Chloride
• CAS No.: 98045-13-7
• Molecular Formula: C₁₂H₆ClNO₅S
• Molecular Weight: 311.702
• European Community (EC) Number: 807-847-2
• Mol file: 98045-13-7.mol

Synonyms:98045-13-7;7-nitrodibenzo[b,d]furan-2-sulfonyl chloride;7-nitrodibenzofuran-2-sulfonyl Chloride;2-Dibenzofuransulfonyl chloride, 7-nitro-;MFCD12974712;C12H6ClNO5S;SCHEMBL3085245;VODKZJIRRUAGHK-UHFFFAOYSA-N;YDA04513;BBL103539;GS3093;STL557349;AKOS025212031;DS-9994;(7-Nitrodibenzofuran-2-yl)sulfonylchloride;7-nitrodibenzo[b,d]furan-2-sulfonylchloride;CS-0155775;C77352

Chemical Property of 7-nitrodibenzofuran-2-sulfonyl Chloride

Chemical Property:

• PSA: 101.48000
• LogP: 5.02570
• Storage Temp.: Inert atmosphere,Store in freezer, under -20°C
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 310.9655212
• Heavy Atom Count: 20
• Complexity: 499

Purity/Quality:

99%, ^*data from raw suppliers

7-Nitrodibenzofuran-2-sulfonylchloride 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=C1[N+](=O)[O-])OC3=C2C=C(C=C3)S(=O)(=O)Cl

Technology Process of 7-nitrodibenzofuran-2-sulfonyl Chloride

There total 5 articles about 7-nitrodibenzofuran-2-sulfonyl Chloride 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: 89.0%

7-nitrodibenzo[b,d]furan-2-sulfonic acid (854832-66-9) → 7-nitrodibenzo[b,d]furan-2-sulfonyl chloride (98045-13-7)

Guidance literature:

With thionyl chloride; N,N-dimethyl-formamide; at 80 ℃; for 54h;

Reference yield:

3-nitrodibenzofuran (5410-97-9) → silica gel (dichloromethane) + 7-nitrodibenzo[b,d]furan-2-sulfonyl chloride (98045-13-7)

Guidance literature:

With chlorosulfonic acid; In dichloromethane;

Reference yield:

dibenzofuran (132-64-9,214827-48-2) → 7-nitrodibenzo[b,d]furan-2-sulfonyl chloride (98045-13-7)

Guidance literature:

Multi-step reaction with 3 steps

1: HNO₃; TFA

2: ClSO₃H / CH₂Cl₂ / 20 °C

3: PCl₅ / 90 °C

With chlorosulfonic acid; phosphorus pentachloride; nitric acid; trifluoroacetic acid; In dichloromethane;

DOI:10.1021/jm020517g

upstream raw materials:

7-nitrodibenzo[b,d]furan-2-sulfonic acid

dibenzofuran

3-nitrodibenzofuran

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