2,3,4,6,7,8,9,10-Octahydropyrimido[1,2-a]azepine;phenol

Base Information

• Chemical Name: 2,3,4,6,7,8,9,10-Octahydropyrimido[1,2-a]azepine;phenol
• CAS No.: 57671-19-9
• Deprecated CAS: 168967-84-8,36443-64-8,86003-76-1,836684-89-0,36443-64-8,836684-89-0,86003-76-1
• Molecular Formula: C15H22N2O
• Molecular Weight: 246.352
• Hs Code.: 2933990090
• European Community (EC) Number: 611-564-8
• DSSTox Substance ID: DTXSID4074061
• Mol file: 57671-19-9.mol

Synonyms:57671-19-9;2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine;phenol;1,8-DIAZABICYCLO[5.4.0]UNDEC-7-ENE, COMPOUND WITH PHENOL (1;DBU Phenol;1,8-Diazabicyclo[5.4.0]undec-7-ene, compound with phenol (1:1);SCHEMBL2699703;DTXSID4074061;CS-0433215;NS00113382;1,8-Diazabicyclo[5.4.0]undec-7-ene,compound with phenol(1:1);Phenol compound with 2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine (1:1)

Chemical Property of 2,3,4,6,7,8,9,10-Octahydropyrimido[1,2-a]azepine;phenol

Chemical Property:

• Flash Point: 230 °F
• PSA: 35.83000
• Density: 1.062 g/mL at 25 °C(lit.)
• LogP: 2.43030
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 246.173213330
• Heavy Atom Count: 18
• Complexity: 209

Purity/Quality:

98%min ^*data from raw suppliers

1,8-DIAZABICYCLO[5.4.0]UNDEC-7-ENE COMPOUND WITH PHENOL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22-36/38
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC2=NCCCN2CC1.C1=CC=C(C=C1)O

Technology Process of 2,3,4,6,7,8,9,10-Octahydropyrimido[1,2-a]azepine;phenol

There total 1 articles about 2,3,4,6,7,8,9,10-Octahydropyrimido[1,2-a]azepine;phenol 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: 95.0%

1,8-diazabicyclo[5.4.0]undec-7-ene (6674-22-2,83329-50-4) + phenol (108-95-2,27073-41-2) → 1,8-diazabicyclo[5.4.0]-7-undecenium phenolate (57671-19-9)

Guidance literature:

In tetrahydrofuran; for 2h; Inert atmosphere;

upstream raw materials:

1,8-diazabicyclo[5.4.0]undec-7-ene

phenol

Refernces

• 1、 Li, Kun,Wu, Xiaohui,Gu, Qingwen,Zhao, Xiuge,Yuan, Mingming,Ma, Wenbao,Ni, Wenxiu,Hou, Zhenshan. "Inclusion complexes of organic salts with β-cyclodextrin as organocatalysts for CO2 cycloaddition with epoxides". . p. 14721 - 14732. Retrieved 2017/03/16.