2H-Spiro[benzofuran-3,4'-piperidine]

Base Information

• Chemical Name: 2H-Spiro[benzofuran-3,4'-piperidine]
• CAS No.: 171-77-7
• Molecular Formula: C12H15NO
• Molecular Weight: 189.257
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID00569829
• Wikidata: Q82457066
• Mol file: 171-77-7.mol

Synonyms:2H-Spiro[benzofuran-3,4'-piperidine];171-77-7;2H-Spiro[1-benzofuran-3,4'-piperidine];spiro[2H-1-benzofuran-3,4'-piperidine];SPIRO;SCHEMBL655103;DTXSID00569829;HEOQEWRIMCDLFB-UHFFFAOYSA-N;MFCD20488777;AKOS016014047;spiro[1-benzofuran-3,4'-piperidine];DS-6650;2H-Spiro[benzofuran-3 pound not4'-piperidine];C73303;EN300-2707607;A881909

Chemical Property of 2H-Spiro[benzofuran-3,4'-piperidine]

Chemical Property:

• Boiling Point: 320.4±42.0 °C(Predicted)
• PKA: 10.60±0.20(Predicted)
• PSA: 21.26000
• Density: 1.14±0.1 g/cm3(Predicted)
• LogP: 2.02900
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 189.115364102
• Heavy Atom Count: 14
• Complexity: 210

Purity/Quality:

97% ^*data from raw suppliers

2H-Spiro[1-benzofuran-3,4'-piperidine] 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CNCCC12COC3=CC=CC=C23

Technology Process of 2H-Spiro[benzofuran-3,4'-piperidine]

There total 2 articles about 2H-Spiro[benzofuran-3,4'-piperidine] 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: 72.0%

1'-benzylspiro[benzofuran-2(3H),4'-piperidine] (72374-35-7) → spiro (171-77-7)

Guidance literature:

With ammonium formate; palladium 10% on activated carbon; In ethanol; for 1.25h; Heating / reflux;

Reference yield:

tert-butyl 2H-spiro[benzofuran-3,4'-piperidine]-1'-carboxylate (181271-50-1) → spiro (171-77-7)

Guidance literature:

With hydrogenchloride; In ethyl acetate;

DOI:10.1016/S0960-894X(99)00183-3

Reference yield: 60.0%

4-(benzylamino)-5-methyl-6-sulfamoylnicotinic acid + spiro (171-77-7) → 4-(benzylamino)-3-methyl-5-(2H-spiro[benzofuran-3, 4'-piperidine]-1'-yl carbonyl)pyridine-2-sulfonamide

Guidance literature:

With N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate; In N,N-dimethyl-formamide; at 20 ℃; for 5h;

upstream raw materials:

tert-butyl 2H-spiro[benzofuran-3,4'-piperidine]-1'-carboxylate

1'-benzylspiro[benzofuran-2(3H),4'-piperidine]

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