Cyclopenta[c]pyran-7-amine

Base Information

• Chemical Name: Cyclopenta[c]pyran-7-amine
• CAS No.: 110677-54-8
• Molecular Formula: C8H7NO
• Molecular Weight: 133.15
• DSSTox Substance ID: DTXSID80701508
• Wikidata: Q82633192
• Mol file: 110677-54-8.mol

Synonyms:cyclopenta[c]pyran-7-amine;SCHEMBL2010826;DTXSID80701508

Chemical Property of Cyclopenta[c]pyran-7-amine

Chemical Property:

• Boiling Point: 259.8±13.0 °C(Predicted)
• PKA: 3.79±0.10(Predicted)
• PSA: 39.16000
• Density: 1.225±0.06 g/cm3(Predicted)
• LogP: 2.59620
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 133.052763847
• Heavy Atom Count: 10
• Complexity: 126

Purity/Quality:

NLT 98% ^*data from raw suppliers

Benzofuran-6-amine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=COC=C2C1=CC=C2N

Technology Process of Cyclopenta[c]pyran-7-amine

There total 7 articles about Cyclopenta[c]pyran-7-amine 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: 79.0%

6-nitrobenzofuran (57786-33-1) → benzofuran-6-amine (110677-54-8)

Guidance literature:

With iron(III) chloride; N,N-Dimethylhydrazine; In ethanol; for 20h; Heating / reflux;

Reference yield: 36.0%

benzofuran-7-ol (4790-81-2) → benzofuran-6-amine (110677-54-8)

Guidance literature:

benzofuran-7-ol; With Nonafluorobutanesulfonyl fluoride; tris(trimethylsilyl)amine; potassium hexamethylsilazane; In tetrahydrofuran; at 60 ℃; for 5h; Schlenk technique; Inert atmosphere;

With hydrogenchloride; In water; at 20 ℃; for 0.0833333h; pH=3 - 4;

DOI:10.1002/chem.201904987

Reference yield:

7-methoxybenzofuran (7168-85-6) → benzofuran-6-amine (110677-54-8)

Guidance literature:

Multi-step reaction with 2 steps

1.1: boron tribromide / dichloromethane / 9 h / -78 °C / Inert atmosphere

2.1: tris(trimethylsilyl)amine; Nonafluorobutanesulfonyl fluoride; potassium hexamethylsilazane / tetrahydrofuran / 5 h / 60 °C / Schlenk technique; Inert atmosphere

2.2: 0.08 h / 20 °C / pH 3 - 4

With Nonafluorobutanesulfonyl fluoride; tris(trimethylsilyl)amine; boron tribromide; potassium hexamethylsilazane; In tetrahydrofuran; dichloromethane;

DOI:10.1002/chem.201904987

upstream raw materials:

6-nitrobenzofuran

benzofuran-7-ol

7-methoxybenzofuran

2-hydroxy-4-nitrobenzaldehyde

Downstream raw materials:

6-amino-2,3-dihydrobenzofuran

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