Spiro[isochroman-1,4'-piperidine]

Base Information

• Chemical Name: Spiro[isochroman-1,4'-piperidine]
• CAS No.: 180160-97-8
• Molecular Formula: C13H17NO
• Molecular Weight: 203.284
• Hs Code.: 2934999090
• European Community (EC) Number: 851-842-8
• ChEMBL ID: CHEMBL4535191
• DSSTox Substance ID: DTXSID10569830
• Wikidata: Q72466227
• Mol file: 180160-97-8.mol

Synonyms:spiro[isochroman-1,4'-piperidine];180160-97-8;Spiro[1H-2-benzopyran-1,4'-piperidine], 3,4-dihydro-;spiro[3,4-dihydroisochromene-1,4'-piperidine];3,4-dihydrospiro[2-benzopyran-1,4'-piperidine];spiro[isochroman-1,4/'-piperidine];Ethyl-4-fluorocinnamate;SCHEMBL1588897;CHEMBL4535191;DTXSID10569830;SKFZSJIOAVSXCU-UHFFFAOYSA-N;BCP27412;MFCD16876099;AKOS015900050;CS-W019011;FS-3583;AM20030197;3,4-Dihydrospiro[isochromene-1,4'-piperidine];A15321;EN300-128483;Z1509150727

Chemical Property of Spiro[isochroman-1,4'-piperidine]

Chemical Property:

• Boiling Point: 341.3±42.0 °C(Predicted)
• PKA: 10.21±0.20(Predicted)
• Flash Point: 136.5oC
• PSA: 21.26000
• Density: 1.12
• LogP: 2.16680
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 203.131014166
• Heavy Atom Count: 15
• Complexity: 223

Purity/Quality:

97% ^*data from raw suppliers

Spiro[isochroman-1,4''-piperidine] ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1COC2(CCNCC2)C3=CC=CC=C31

Technology Process of Spiro[isochroman-1,4'-piperidine]

There total 12 articles about Spiro[isochroman-1,4'-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: 82.0%

1-(3,4-dihydrospiro[[2]benzopyran-1,4'-piperidin]-1'-yl)ethan-1-one → 3,4-dihydrospiro[[2]benzopyran-1,4'-piperidine] (180160-97-8)

Guidance literature:

With water; sodium hydroxide; for 16h; Reflux;

DOI:10.1016/j.bmc.2015.02.019

Reference yield: 64.0%

tert-butyl spiro[isochroman-1,4'-piperidine]-1'-carboxylate (909034-76-0) → 3,4-dihydrospiro[[2]benzopyran-1,4'-piperidine] (180160-97-8)

Guidance literature:

tert-butyl spiro[isochroman-1,4'-piperidine]-1'-carboxylate; With trifluoroacetic acid; In dichloromethane; at 20 ℃; for 1h;

With sodium carbonate; In dichloromethane; water; pH=8;

Reference yield:

1'-benzylspiro (345294-39-5) → 3,4-dihydrospiro[[2]benzopyran-1,4'-piperidine] (180160-97-8)

Guidance literature:

With hydrogen; palladium 10% on activated carbon; In ethanol; at 20 ℃; for 18h; Inert atmosphere;

upstream raw materials:

ethyl 3,4-dihydrospiro(1H-2-benzopyran-1,4'-piperidine)-1'-carboxylate

2-bromophenylethyl alcohol

N-ethoxycarbonyl-4-piperidone

4-Hydroxy-4-[2-(2-hydroxy-ethyl)-phenyl]-piperidine-1-carboxylic acid ethyl ester

Downstream raw materials:

C₂₄H₂₄N₄O₂

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