1-Azaspiro[4.5]decane

Base Information

• Chemical Name: 1-Azaspiro[4.5]decane
• CAS No.: 176-80-7
• Molecular Formula: C9H17N
• Molecular Weight: 139.238
• Hs Code.: 2933990090
• NSC Number: 19984
• UNII: 354S34PWD9
• DSSTox Substance ID: DTXSID10170061
• Nikkaji Number: J54.653D
• Wikidata: Q83039910
• ChEMBL ID: CHEMBL3753828
• Mol file: 176-80-7.mol

Synonyms:1-Azaspiro[4.5]decane;176-80-7;1-Aza-spiro[4.5]decane;1-AZASPIRO(4.5)DECANE;2,2-Pentamethylenepyrrolidine;NSC19984;NSC 19984;BRN 0103872;CHEMBL3753828;354S34PWD9;NSC-19984;5-20-04-00400 (Beilstein Handbook Reference);4-azaspiro[4.5]decane;{1-Azaspiro[4.5]decane};SCHEMBL162968;UNII-354S34PWD9;DTXSID10170061;WLN: T5NXTJ B-& AL6XTJ;BDBM50137089;MFCD01665114;AKOS006277627;SB34297;Pyrrolidine, 2,2-(1,5-pentanediyl)-;AS-32866;LS-22692;CS-0340065;EN300-98626

Chemical Property of 1-Azaspiro[4.5]decane

Chemical Property:

• Vapor Pressure: 0.247mmHg at 25°C
• Boiling Point: 205.7°Cat760mmHg
• PKA: 11.66±0.20(Predicted)
• Flash Point: 72.7°C
• PSA: 12.03000
• Density: 0.94g/cm³
• LogP: 2.40150
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 139.136099547
• Heavy Atom Count: 10
• Complexity: 114

Purity/Quality:

99% ^*data from raw suppliers

1-Azaspiro[4.5]decane ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC2(CC1)CCCN2

Technology Process of 1-Azaspiro[4.5]decane

There total 9 articles about 1-Azaspiro[4.5]decane 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: 83.0%

2-oxo-1-azaspiro<4.5>decane (5498-74-8) → 1-azaspiro[4.5]decane (176-80-7)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; at 25 ℃; for 15h;

DOI:10.1248/cpb.41.1971

Reference yield:

1-nitrocyclohexane (1122-60-7) → 1-azaspiro[4.5]decane (176-80-7)

Guidance literature:

Multi-step reaction with 3 steps

1: 85 percent / Triton-B / tetrahydrofuran; 2-methyl-propan-2-ol / 48 h / 20 °C

2: 75 percent / conc. HCl, activated Zn dust / ethanol / 16 h / Heating

3: 80 percent / LiAlH₄ / diethyl ether / 72 h / Heating

With hydrogenchloride; lithium aluminium tetrahydride; N-benzyl-trimethylammonium hydroxide; zinc; In tetrahydrofuran; diethyl ether; ethanol; tert-butyl alcohol;

Reference yield:

1-(2-methoxycarbonylethyl)-1-nitrocyclohexane (71648-41-4) → 1-azaspiro[4.5]decane (176-80-7)

Guidance literature:

Multi-step reaction with 2 steps

1: 75 percent / conc. HCl, activated Zn dust / ethanol / 16 h / Heating

2: 80 percent / LiAlH₄ / diethyl ether / 72 h / Heating

With hydrogenchloride; lithium aluminium tetrahydride; zinc; In diethyl ether; ethanol;

upstream raw materials:

2-oxo-1-azaspiro<4.5>decane

3-(1-nitro-cyclohexyl)-propionitrile

butan-1-ol

1-(2-methoxycarbonylethyl)-1-nitrocyclohexane

Downstream raw materials:

10-[2-(1-aza-spiro[4.5]dec-1-yl)-ethyl]-10H-phenothiazine

cyclopent-2-enyl-phenyl-acetic acid-[2-(1-aza-spiro[4.5]dec-1-yl)-ethyl ester]