Dibenzo[b,d]furan-2-sulfonic acid

Base Information

• Chemical Name: Dibenzo[b,d]furan-2-sulfonic acid
• CAS No.: 83863-63-2
• Molecular Formula: C12H8O4S
• Molecular Weight: 248.259
• Hs Code.: 2932999099
• European Community (EC) Number: 281-128-6
• DSSTox Substance ID: DTXSID20232760
• Nikkaji Number: J236.343G
• Wikidata: Q83113898
• Mol file: 83863-63-2.mol

Synonyms:Dibenzo[b,d]furan-2-sulfonic acid;83863-63-2;2-Dibenzofuransulfonic acid;DIBENZOFURAN-2-SULFONIC ACID;Dibenzofuran-2-sulphonic acid;EINECS 281-128-6;Dibenzofuran-2-sulfonsaure;C12H8O4S;SCHEMBL2818655;JANFYPHFIPGYTQ-UHFFFAOYSA-;DTXSID20232760;Dibenzo[b,d]furan-2-sulfonic acid #;AKOS000269062;AS-77588;CS-0456108;FT-0612164

Chemical Property of Dibenzo[b,d]furan-2-sulfonic acid

Chemical Property:

• Melting Point: 144-145 °C
• PKA: 0.13±0.30(Predicted)
• PSA: 75.89000
• Density: 1.52 g/cm³
• LogP: 3.91350
• Storage Temp.: 2-8°C
• Sensitive.: Hygroscopic
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 248.01432991
• Heavy Atom Count: 17
• Complexity: 386

Purity/Quality:

97% ^*data from raw suppliers

Dibenzo[b,d]furan-2-sulfonicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R34:Causes burns.
• Hazard Codes: R34:Causes burns.
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C3=C(O2)C=CC(=C3)S(=O)(=O)O

Technology Process of Dibenzo[b,d]furan-2-sulfonic acid

There total 1 articles about Dibenzo[b,d]furan-2-sulfonic acid 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:

dibenzofuran (132-64-9,214827-48-2) → 2-Dibenzofuransulfonic acid (83863-63-2)

Guidance literature:

With sulfuric acid; at 100 ℃;

DOI:10.1021/ja01173a016

Reference yield:

2-Dibenzofuransulfonic acid (83863-63-2) → (R)-2-(Dibenzofuran-2-sulfonylamino)-3-(1H-indol-3-yl)-propionic acid benzyl ester (203640-01-1)

Guidance literature:

Multi-step reaction with 2 steps

1: PCl₅ / CHCl₃; hexane / 6 h / 80 °C

2: N-methylmorpholine / CH₂Cl₂ / Ambient temperature

With 4-methyl-morpholine; phosphorus pentachloride; In hexane; dichloromethane; chloroform;

DOI:10.1021/jm9707582

Reference yield:

2-Dibenzofuransulfonic acid (83863-63-2) → 4-phenoxyphenylsulfonyl chloride (1623-92-3)

Guidance literature:

upstream raw materials:

dibenzofuran

Downstream raw materials:

dibenzofuran-2-sulfonyl chloride

(R)-2-(Dibenzofuran-2-sulfonylamino)-3-(1H-indol-3-yl)-propionic acid benzyl ester

dibenzofuran-2-sulfonic acid anilide

4-phenoxyphenylsulfonyl chloride