1-(4-Chlorophenyl)-5-(diethylamino)-4,4-dimethyl-1-penten-3-one hydrobromide

Base Information

• Chemical Name: 1-(4-Chlorophenyl)-5-(diethylamino)-4,4-dimethyl-1-penten-3-one hydrobromide
• CAS No.: 121229-92-3
• Molecular Formula: C17H24 Cl N O . Br H
• Molecular Weight: 0
• NSC Number: 382012
• Mol file: 121229-92-3.mol

Synonyms:1-(4-chlorophenyl)-4,4-dimethyl-5-diethylamino-1-penten-3-one;1-CDDPO

Chemical Property of 1-(4-Chlorophenyl)-5-(diethylamino)-4,4-dimethyl-1-penten-3-one hydrobromide

Chemical Property:

• Vapor Pressure: 1.4E-06mmHg at 25°C
• Boiling Point: 399.2°Cat760mmHg
• Flash Point: 195.2°C
• PSA: 20.31000
• Density: g/cm³
• LogP: 4.29030
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 7
• Exact Mass: 373.08080
• Heavy Atom Count: 21
• Complexity: 326

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN(CC)CC(C)(C)C(=O)C=CC1=CC=C(C=C1)Cl.Br
• Isomeric SMILES: CCN(CC)CC(C)(C)C(=O)/C=C/C1=CC=C(C=C1)Cl.Br

Technology Process of 1-(4-Chlorophenyl)-5-(diethylamino)-4,4-dimethyl-1-penten-3-one hydrobromide

There total 1 articles about 1-(4-Chlorophenyl)-5-(diethylamino)-4,4-dimethyl-1-penten-3-one hydrobromide 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: 56.0%

1-(4-chlorophenyl)-4-methyl-1-penten-3-one (1577-33-9) + N,N-diethyl(methylene)immonium bromide (99025-50-0) → 1-(4-chlorophenyl)-5-diethylamino-4,4-dimethyl-1-penten-3-one (121229-92-3)

Guidance literature:

In acetonitrile; at 60 - 80 ℃;

DOI:10.1016/0223-5234(89)90002-0

Reference yield: 90.0%

GLUTATHIONE (70-18-8) + 1-(4-chlorophenyl)-5-diethylamino-4,4-dimethyl-1-penten-3-one (121229-92-3) → 1-(4-clorophenyl)-5-diethylamino-4,4-dimethyl-1-(S)-glutathionyl-3-pentanone (125564-15-0)

Guidance literature:

at 37 ℃; Rate constant; pH = 7.4;

DOI:10.1016/0223-5234(89)90002-0

upstream raw materials:

1-(4-chlorophenyl)-4-methyl-1-penten-3-one

N,N-diethyl(methylene)immonium bromide

Downstream raw materials:

1-(4-clorophenyl)-5-diethylamino-4,4-dimethyl-1-(S)-glutathionyl-3-pentanone

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