Azacycloundecan-2-one

Base Information

• Chemical Name: Azacycloundecan-2-one
• CAS No.: 1009-89-8
• Molecular Formula: C10H19 N O
• Molecular Weight: 169.267
• Hs Code.: 2933790090
• European Community (EC) Number: 213-772-0
• UNII: D8U4GZ4BV8
• DSSTox Substance ID: DTXSID60143568
• Nikkaji Number: J217.126K
• Wikidata: Q83007502
• Mol file: 1009-89-8.mol

Synonyms:Azacycloundecan-2-one;1009-89-8;1-Azacycloundecan-2-one;EINECS 213-772-0;Caprinolactam;10-caprinolactam;2-azacycloundecanone;starbld0025567;D8U4GZ4BV8;SCHEMBL2368343;SCHEMBL16261231;DTXSID60143568;BAA00989;4-(2-(Hydroxymethyl)phenyl)butan-1-ol;EN300-1721295;Z1509140506

Chemical Property of Azacycloundecan-2-one

Chemical Property:

• Vapor Pressure: 0.00208mmHg at 25°C
• Boiling Point: 290.4°Cat760mmHg
• Flash Point: 169.4°C
• PSA: 32.59000
• Density: 0.901g/cm³
• LogP: 2.51290
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 169.146664230
• Heavy Atom Count: 12
• Complexity: 134

Purity/Quality:

98%,99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCCCC(=O)NCCCC1

Technology Process of Azacycloundecan-2-one

There total 17 articles about Azacycloundecan-2-one 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: 96.0%

cyclodecanone oxime (2972-01-2) → azacycloundecan-2-one (1009-89-8)

Guidance literature:

With 1,3,5-trichloro-2,4,6-triazine; zinc(II) chloride; In acetonitrile; for 1h; Heating;

DOI:10.1021/ja053441x

Reference yield: 94.7%

→ azacycloundecan-2-one (1009-89-8)

Guidance literature:

Reference yield: 69.0%

cyclodecanone (1502-06-3) → azacycloundecan-2-one (1009-89-8)

Guidance literature:

With sodium azide; sulfuric acid; for 2h; Ambient temperature;

DOI:10.1021/jm950872p

upstream raw materials:

10-amino-decanenitrile

cyclodecanone oxime

n-Octylamine

N-Benzoyl-10-decanelactam

Downstream raw materials:

N-Benzoyl-10-decanelactam

1-azabicyclo<6.3.0>undecan-2-one

1-azabicyclo<6.3.0>undecan-11-one

1-azabicyclo<5.4.0>undecan-2-one

Refernces

• 1、 Srivastava, Vishnu P.,Patel, Rajesh,Garima,Yadav, Lal Dhar S.. "Cyclopropenium ion catalysed Beckmann rearrangement". . p. 5808 - 5810. Retrieved 2010.
• 2、 Stephens, Thomas C.,Lodi, Mahendar,Steer, Andrew M.,Lin, Yun,Gill, Matthew T.,Unsworth, William P.. "Synthesis of Cyclic Peptide Mimetics by the Successive Ring Expansion of Lactams". supporting information. p. 13314 - 13318. Retrieved 2017/10/05.
• 3、 Furuya, Yoshiro,Ishihara, Kazuaki,Yamamoto, Hisashi. "Cyanuric chloride as a mild and active Beckmann rearrangement catalyst". . p. 11240 - 11241. Retrieved 2007/10/03.