2,3-Dihydro-5,7-dimethyl-1H-1,4-diazepine monoperchlorate

Base Information

• Chemical Name: 2,3-Dihydro-5,7-dimethyl-1H-1,4-diazepine monoperchlorate
• CAS No.: 7300-56-3
• Deprecated CAS: 29893-12-7
• Molecular Formula: C7H13ClN2O4
• Molecular Weight: 224.644
• European Community (EC) Number: 230-746-4
• DSSTox Substance ID: DTXSID20884369
• Mol file: 7300-56-3.mol

Synonyms:38772-18-8;7300-56-3;2,3-Dihydro-5,7-dimethyl-1H-1,4-diazepine monoperchlorate;2,7-Dimethyl-3,6-diazacyclohepta-1,6-diene perchlorate;5,7-Dimethyl-2,3-dihydro-1H-[1,4]diazepine perchlorate;EINECS 230-746-4;5,7-dimethyl-2,3-dihydro-1H-1,4-diazepine;perchloric acid;1H-1,4-Diazepine, 2,3-dihydro-5,7-dimethyl-, monoperchlorate;1H-1,4-Diazepine, 2,3-dihydro-5,7-dimethyl-, perchlorate (1:1);C7H12N2.ClHO4;SCHEMBL6034539;DTXSID20884369;C7-H12-N2.Cl-H-O4;AKOS000445232;FT-0639494;(4Z,6Z)-5,7-dimethyl-2,3-dihydro-1H-1,4-diazepine perchlorate

Chemical Property of 2,3-Dihydro-5,7-dimethyl-1H-1,4-diazepine monoperchlorate

Chemical Property:

• Vapor Pressure: 0.566mmHg at 25°C
• Boiling Point: 189.6°C at 760 mmHg
• Flash Point: 68.4°C
• PSA: 95.83000
• LogP: 0.87500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 0
• Exact Mass: 224.0563846
• Heavy Atom Count: 14
• Complexity: 270

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC(=NCCN1)C.OCl(=O)(=O)=O

Technology Process of 2,3-Dihydro-5,7-dimethyl-1H-1,4-diazepine monoperchlorate

There total 3 articles about 2,3-Dihydro-5,7-dimethyl-1H-1,4-diazepine monoperchlorate 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%

ethylenediamine (107-15-3,85404-18-8) + acetylacetone (123-54-6,81235-32-7) → 2,3-dihydro-5,7-bismethyl-1,4-diazepine monohydroperchlorate (7300-56-3)

Guidance literature:

With perchloric acid; acetic acid; In water; at 120 ℃;

DOI:10.1039/c6ra28882k

Reference yield: 76.0%

1,2-ethanediammonium diperchlorate (15718-71-5,25682-07-9,90801-83-5,91929-66-7) + acetylacetone (123-54-6,81235-32-7) → 2,3-dihydro-5,7-bismethyl-1,4-diazepine monohydroperchlorate (7300-56-3)

Guidance literature:

With diazoacetic acid ethyl ester; at 100 - 120 ℃; for 10h; other fluoroalkyl-containing 1,3-dicarbonyl compounds;

DOI:10.1007/BF00958575

Reference yield: 23.0%

ethylenediamine (107-15-3,85404-18-8) → 2,3-dihydro-5,7-bismethyl-1,4-diazepine monohydroperchlorate (7300-56-3) + (Z)-4-[2-((Z)-4,4-Difluoro-1-methyl-3-oxo-but-1-enylamino)-ethylamino]-1,1-difluoro-pent-3-en-2-one

Guidance literature:

With EDA*2HClO₄; In chloroform; Heating;

DOI:10.1007/BF00960416

upstream raw materials:

1,2-ethanediammonium diperchlorate

acetylacetone

ethylenediamine

Refernces

• 1、 Skryabina, Z. E.,Burgart, Ya. V.,Saloutin, V. I.. "CYCLIZATION OF FLUOROALKYL-CONTAINING 1,3-DICARBONYL COMPOUNDS WITH ETHYLENEDIAMINE HYDROPERCHLORATE TO 1,4-DIAZEPINES". . p. 788 - 794. Retrieved 2007/10/02.