Spiro[indene-1,4'-piperidine]

Base Information

• Chemical Name: Spiro[indene-1,4'-piperidine]
• CAS No.: 33042-66-9
• Molecular Formula: C13H15N
• Molecular Weight: 185.269
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID20438169
• Wikidata: Q82253816
• Mol file: 33042-66-9.mol

Synonyms:Spiro[indene-1,4'-piperidine];33042-66-9;Spiro[1H-indene-1,4'-piperidine];spiro(indene-1,4'-piperidine);Spiro(1H-indene-1,4'-piperidine);SCHEMBL762110;DTXSID20438169;QXNXVWNYCKUANQ-UHFFFAOYSA-N;BCP27065;MFCD08705802;AKOS005264469;GF-0012;SB36636;AM20040186;CS-0036380;FT-0715740;EN300-225779;F15199

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

Chemical Property:

• Boiling Point: 318.721 °C at 760 mmHg
• PKA: 10.70±0.20(Predicted)
• Flash Point: 155.442 °C
• PSA: 12.03000
• Density: 1.099 g/cm³
• LogP: 2.66340
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 185.120449483
• Heavy Atom Count: 14
• Complexity: 238

Purity/Quality:

NLT 98% ^*data from raw suppliers

spiro[indene-1,4''-piperidine] ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CNCCC12C=CC3=CC=CC=C23

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

There total 3 articles about Spiro[indene-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: 98.0%

1'-(tert-butyloxycarbonyl)spiro<1H-indene-1,4'-piperidine> (137419-24-0) → spiro[indene-1,4'-piperidine] (33042-66-9)

Guidance literature:

With trifluoroacetic acid; In dichloromethane; Cooling with ice;

Reference yield: 58.0%

→ spiro[indene-1,4'-piperidine] (33042-66-9)

Guidance literature:

Reference yield:

1-indene (95-13-6) → spiro[indene-1,4'-piperidine] (33042-66-9)

Guidance literature:

Multi-step reaction with 2 steps

1.1: lithium hexamethyldisilazane / hexane; tetrahydrofuran / 1 h / 0 °C / Inert atmosphere

1.2: 2 h / 0 °C

2.1: trifluoroacetic acid / dichloromethane / Cooling with ice

With trifluoroacetic acid; lithium hexamethyldisilazane; In tetrahydrofuran; hexane; dichloromethane;

upstream raw materials:

1'-(tert-butyloxycarbonyl)spiro<1H-indene-1,4'-piperidine>

1-indene

Downstream raw materials:

5-isoxazoyl-Cha-Ile-spiro[1H-indene-1,4'-piperidine]

(3S)-3-[4-[[5-(spiro[indene-1,4'-piperidine]-1'-ylmethyl)-2-thienyl]methoxy]phenyl]hex-4-ynoic acid

ethyl (3S)-3-[4-[[5-(spiro[indene-1,4'-piperidine]-1'-ylmethyl)-2-thienyl]methoxy]phenyl]hex-4-ynoate

Ethyl 3-[2-fluoro-4-[[3-methoxy-4-(spiro[indene-1,4'-piperidine]-1'-ylmethyl)phenyl]methoxy]phenyl]propanoate

Refernces

• 1、 -. "Compound as potassium channel modulator". Paragraph 1093; 1095; 1098; 1099. . Retrieved 2018/07/30.
• 2、 -. "NOVEL SPIRO COMPOUND AND MEDICINE COMPRISING THE SAME". Page/Page column 13-14. . Retrieved 2010/02/17.