1-Azaspiro[5.5]undec-7-ene, 7-butyl-1-(phenylmethyl)-

Base Information

• Chemical Name: 1-Azaspiro[5.5]undec-7-ene, 7-butyl-1-(phenylmethyl)-
• CAS No.: 83562-28-1
• Molecular Formula: C21H31N
• Molecular Weight: 297.484
• DSSTox Substance ID: DTXSID50340327
• Mol file: 83562-28-1.mol

Synonyms:83562-28-1;1-Azaspiro[5.5]undec-7-ene, 7-butyl-1-(phenylmethyl)-;DTXSID50340327;1-Azaspiro[5.5]dodec-7-ene, 1-benzyl-7-butyl-;1-Benzyl-7-butyl-1-azaspiro[5.5]undec-7-ene #

Chemical Property of 1-Azaspiro[5.5]undec-7-ene, 7-butyl-1-(phenylmethyl)-

Chemical Property:

• XLogP3: 5.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 297.245649993
• Heavy Atom Count: 22
• Complexity: 366

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCC1=CCCCC12CCCCN2CC3=CC=CC=C3

Technology Process of 1-Azaspiro[5.5]undec-7-ene, 7-butyl-1-(phenylmethyl)-

There total 18 articles about 1-Azaspiro[5.5]undec-7-ene, 7-butyl-1-(phenylmethyl)- 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: 100.0%

7-butyl-1-azaspiro[5.5]undec-7-ene (94273-05-9) + benzyl bromide (100-39-0) → 1-benzyl-7-butyl-1-azaspirocyclo<5.5>undec-7-ene (83562-28-1)

Guidance literature:

With potassium carbonate; In tetrahydrofuran; for 8h; Heating;

DOI:10.1021/jo801586h

Reference yield: 94.0%

1-benzyl-7-butyl-1-azaspiro<5.5>undec-7-en-9-ol (88204-72-2) → 1-benzyl-7-butyl-1-azaspirocyclo<5.5>undec-7-ene (83562-28-1)

Guidance literature:

With lithium aluminium tetrahydride; aluminium trichloride; In diethyl ether; at 0 ℃; for 1h;

Reference yield: 65.0%

1-Acetoxy-2-butyl-3-<4-(benzylamino)butyl>cyclohex-2-ene (86817-84-7) → 1-benzyl-7-butyl-1-azaspirocyclo<5.5>undec-7-ene (83562-28-1)

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; triethylamine; In acetonitrile; 1.) - 78 deg C, 2.) 150 deg C, 24 h; sealed tube;

DOI:10.1021/jo00160a035

upstream raw materials:

benzyl bromide

1-Acetoxy-2-butyl-3-<4-(benzylamino)butyl>cyclohex-2-ene

1-benzyl-7-butyl-1-azaspiro<5.5>undec-7-en-9-ol

1-benzyl-1-azaspiro<5.5>undec-7-en-9-one

Downstream raw materials:

O-acetyl-N-benzyldepentylperhydrohistrionicotoxin

O-acetyl-N-benzyldepentylperhydrohistrionicotoxin

(6R,7R,8R)-7-Butyl-1-aza-spiro[5.5]undecan-8-ol

(6RS,7RS,8RS)-7-n-Butyl-N-benzyl-1-azaspiro<5.5>undecan-8-ol