Glycine, N-((2-acetyl-7-(pentyloxy)-4-benzofuranyl)sulfonyl)-

Base Information

• Chemical Name: Glycine, N-((2-acetyl-7-(pentyloxy)-4-benzofuranyl)sulfonyl)-
• CAS No.: 105668-57-3
• Molecular Formula: C₁₇H₂₁NO₇S
• Molecular Weight: 383.422
• DSSTox Substance ID: DTXSID60147248
• Wikidata: Q83012511
• Mol file: 105668-57-3.mol

Synonyms:N-((2-Acetyl-7-(pentyloxy)-4-benzofuranyl)sulfonyl)glycine;Glycine, N-((2-acetyl-7-(pentyloxy)-4-benzofuranyl)sulfonyl)-;2-Acetyl-4-(N-carboxymethylsulfamoyl)-7-n-pentyloxybenzofuran;105668-57-3;SCHEMBL10647101;DTXSID60147248;LS-72233

Chemical Property of Glycine, N-((2-acetyl-7-(pentyloxy)-4-benzofuranyl)sulfonyl)-

Chemical Property:

• Vapor Pressure: 1.19E-14mmHg at 25°C
• Boiling Point: 587.6°C at 760 mmHg
• Flash Point: 309.2°C
• PSA: 131.29000
• Density: 1.323g/cm³
• LogP: 4.03900
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 10
• Exact Mass: 383.10387318
• Heavy Atom Count: 26
• Complexity: 601

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCOC1=C2C(=C(C=C1)S(=O)(=O)NCC(=O)O)C=C(O2)C(=O)C

Technology Process of Glycine, N-((2-acetyl-7-(pentyloxy)-4-benzofuranyl)sulfonyl)-

There total 5 articles about Glycine, N-((2-acetyl-7-(pentyloxy)-4-benzofuranyl)sulfonyl)- 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: 86.0%

(2-Acetyl-7-pentyloxy-benzofuran-4-sulfonylamino)-acetic acid ethyl ester (105641-88-1) → 2-acetyl-4-carboxymethylsulfamoyl-7-pentyloxybenzofuran (105668-57-3)

Guidance literature:

With sodium hydroxide; In methanol; at 25 ℃; for 1.5h;

DOI:10.1248/cpb.37.2398

Reference yield:

2-acetyl-7-hydroxybenzofuran (40020-87-9) + amyl iodide (628-17-1) → 2-acetyl-4-carboxymethylsulfamoyl-7-pentyloxybenzofuran (105668-57-3)

Guidance literature:

Reference yield:

2-acetyl-7-hydroxybenzofuran (40020-87-9) → 2-acetyl-4-carboxymethylsulfamoyl-7-pentyloxybenzofuran (105668-57-3)

Guidance literature:

Multi-step reaction with 4 steps

1: K₂CO₃

2: 83 percent / ClSO₃H / 1,2-dichloro-ethane / 2 h / -20 - -15 °C

3: 75 percent / Et₃N / CH₂Cl₂ / 1 h / 27 °C

4: 86 percent / 1N aq. NaOH / methanol / 1.5 h / 25 °C

With chlorosulfonic acid; sodium hydroxide; potassium carbonate; triethylamine; In methanol; dichloromethane; 1,2-dichloro-ethane;

DOI:10.1248/cpb.37.2398

upstream raw materials:

(2-Acetyl-7-pentyloxy-benzofuran-4-sulfonylamino)-acetic acid ethyl ester

2-acetyl-7-hydroxybenzofuran

2-acetyl-7-pentyloxybenzofuran

2-Acetyl-7-pentyloxy-benzofuran-4-sulfonyl chloride