2-(Azepan-1-yl)-4-chloroquinazoline

Base Information

• Chemical Name: 2-(Azepan-1-yl)-4-chloroquinazoline
• CAS No.: 134961-18-5
• Molecular Formula: C14H16ClN3
• Molecular Weight: 261.75000
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID70576949
• Nikkaji Number: J461.973K
• Wikidata: Q82466832
• Mol file: 134961-18-5.mol

Synonyms:2-(Azepan-1-yl)-4-chloroquinazoline;134961-18-5;DTXSID70576949

Chemical Property of 2-(Azepan-1-yl)-4-chloroquinazoline

Chemical Property:

• PSA: 29.02000
• LogP: 3.72860
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 261.1032752
• Heavy Atom Count: 18
• Complexity: 266

Purity/Quality:

99.90% ^*data from raw suppliers

2-(Azepan-1-yl)-4-chloroquinazoline 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCCN(CC1)C2=NC3=CC=CC=C3C(=N2)Cl

Technology Process of 2-(Azepan-1-yl)-4-chloroquinazoline

There total 4 articles about 2-(Azepan-1-yl)-4-chloroquinazoline 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: 87.0%

hexahydro-1-methyl-1H-azepine (1192-95-6) + 2,4-dichloroquinazoline (607-68-1) → 2-Azepan-1-yl-4-chloro-quinazoline (134961-18-5)

Guidance literature:

In 1,4-dioxane; at 100 ℃; for 1h;

Reference yield: 73.0%

hexahydro-1-methyl-1H-azepine (1192-95-6) + 1,2,3,4-tetrahydro-quinazoline-2,4-dione (86-96-4) → 2-Azepan-1-yl-4-chloro-quinazoline (134961-18-5)

Guidance literature:

With tri-n-propylamine; trichlorophosphate; In 1,4-dioxane; at 100 ℃; for 1h;

DOI:10.1039/P19910001279

Reference yield: 54.0%

N-allylhexamethyleneimine (53678-65-2) + 1,2,3,4-tetrahydro-quinazoline-2,4-dione (86-96-4) → 2-Azepan-1-yl-4-chloro-quinazoline (134961-18-5)

Guidance literature:

With tri-n-propylamine; trichlorophosphate; In 1,4-dioxane; at 100 ℃; for 1h;

DOI:10.1039/P19910001279

upstream raw materials:

hexahydro-1-methyl-1H-azepine

2,4-dichloroquinazoline

1,2,3,4-tetrahydro-quinazoline-2,4-dione

N-allylhexamethyleneimine

Refernces

• 1、 Yoshida, Kenji,Tanaka, Takashi,Ohtaka, Hiroshi. "Reaction of Quinazoline-2,4(1H,3H)-dione with N-Substituted Cyclic Amines in Combination with Phosphoryl Trichloride". . p. 1279 - 1282. Retrieved 2007/10/02.