2,3-Dihydro-1,4-benzodioxine-6-sulfonamide

Base Information

• Chemical Name: 2,3-Dihydro-1,4-benzodioxine-6-sulfonamide
• CAS No.: 90222-81-4
• Molecular Formula: C8H9 N O4 S
• Molecular Weight: 215.23
• Hs Code.: 2935009090
• DSSTox Substance ID: DTXSID70377852
• Wikidata: Q82167214
• Mol file: 90222-81-4.mol

Synonyms:90222-81-4;2,3-dihydro-1,4-benzodioxine-6-sulfonamide;2,3-Dihydro-benzo[1,4]dioxine-6-sulfonic acid amide;2,3-dihydrobenzo[b][1,4]dioxine-6-sulfonamide;2,3-Dihydro-1,4-benzodioxine-6-sulphonamide;1,4-Benzodioxin-6-sulfonamide, 2,3-dihydro-;SPR_6;Oprea1_588757;Oprea1_842930;IFLab1_000813;SCHEMBL2549992;BDBM36002;DTXSID70377852;HMS1414E21;MFCD00704682;AKOS000115244;CCG-103911;SDCCGMLS-0065395.P001;TS-00459;EN300-01196;SR-01000399701;2,3-dihydrobenzo[1,4]dioxine-6-sulfonic acid amide;SR-01000399701-1;Z45415570;F0239-0122

Chemical Property of 2,3-Dihydro-1,4-benzodioxine-6-sulfonamide

Chemical Property:

• Vapor Pressure: 9.6E-07mmHg at 25°C
• Boiling Point: 404.2°Cat760mmHg
• Flash Point: 198.3°C
• PSA: 87.00000
• Density: 1.461g/cm³
• LogP: 1.88630
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 215.02522894
• Heavy Atom Count: 14
• Complexity: 297

Purity/Quality:

98%min ^*data from raw suppliers

2,3-Dihydro-1,4-benzodioxine-6-sulphonamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1COC2=C(O1)C=CC(=C2)S(=O)(=O)N

Technology Process of 2,3-Dihydro-1,4-benzodioxine-6-sulfonamide

There total 3 articles about 2,3-Dihydro-1,4-benzodioxine-6-sulfonamide 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: 66.0%

→ 2,3-dihydrobenzo[b][1,4]dioxine-6-sulfonamide (90222-81-4) + N-{[(4-Chlorophenyl)amino]carbonyl}-2,3-dihydro-1,4-benzodioxin-6-sulfonamide (112894-51-6)

Guidance literature:

Reference yield: 56.0%

2.3-dihydro-1,4-benzodioxin-6-ylboronic acid (164014-95-3) → 2,3-dihydrobenzo[b][1,4]dioxine-6-sulfonamide (90222-81-4)

Guidance literature:

2.3-dihydro-1,4-benzodioxin-6-ylboronic acid; With 1,4-diazabicyclo[2.2.2]octane-triethylenediamine-bis(sulfur dioxide); tetrabutylammomium bromide; palladium diacetate; In 1,4-dioxane; methanol; at 80 ℃; for 0.5h; Inert atmosphere;

With triethylamine; In 1,4-dioxane; deuteromethanol; at 20 ℃; for 0.0166667h; Inert atmosphere;

With hydroxylamine-O-sulfonic acid; In water; at 20 ℃; for 2h; Inert atmosphere;

DOI:10.1002/anie.201508370

Reference yield: 34.0%

→ 2,3-dihydrobenzo[b][1,4]dioxine-6-sulfonamide (90222-81-4)

Guidance literature:

upstream raw materials:

2.3-dihydro-1,4-benzodioxin-6-ylboronic acid

Downstream raw materials:

N-{[(4-Chlorophenyl)amino]carbonyl}-2,3-dihydro-1,4-benzodioxin-6-sulfonamide