5-(Dimethylamino)-4-methyl-1-phenyl-1-penten-3-one hydrochloride

Base Information

• Chemical Name: 5-(Dimethylamino)-4-methyl-1-phenyl-1-penten-3-one hydrochloride
• CAS No.: 54951-56-3
• Molecular Formula: C14H19NO
• Molecular Weight: 217.3068
• NSC Number: 152770
• DSSTox Substance ID: DTXSID00422869

Synonyms:54951-56-3;5-(Dimethylamino)-4-methyl-1-phenyl-1-penten-3-one hydrochloride;(E)-5-(dimethylamino)-4-methyl-1-phenylpent-1-en-3-one;hydrochloride;AC1O4G9N;NIOSH/SB3882370;DTXSID00422869;NSC152770;NSC-152770;LS-102166;SB38823700;1-Penten-3-one, 5-(dimethylamino)-4-methyl-1-phenyl-, hydrochloride

Chemical Property of 5-(Dimethylamino)-4-methyl-1-phenyl-1-penten-3-one hydrochloride

Chemical Property:

• Vapor Pressure: 0.000192mmHg at 25°C
• Boiling Point: 328.3°C at 760 mmHg
• Flash Point: 114.1°C
• Density: 0.998g/cm³
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 253.1233420
• Heavy Atom Count: 17
• Complexity: 239

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 5-(Dimethylamino)-4-methyl-1-phenyl-1-penten-3-one hydrochloride

There total 1 articles about 5-(Dimethylamino)-4-methyl-1-phenyl-1-penten-3-one hydrochloride 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: 52.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + (1E)-1-phenylpent-1-en-3-one (3152-68-9) + N,N-dimethylammonium chloride (506-59-2) → 5-dimethylamino-4-methyl-2-phenyl-3-one hydrochloride (54951-56-3)

Guidance literature:

With hydrogenchloride; In ethanol; at 80 ℃; for 4h;

DOI:10.1021/jm00357a020

Reference yield: 90.0%

5-dimethylamino-4-methyl-2-phenyl-3-one hydrochloride (54951-56-3) → (E)-4-methyl-1-phenylpenta-1,4-dien-3-one (59873-86-8,129138-65-4)

Guidance literature:

With phosphate buffer pH 7.4; at 37 ℃; for 24h;

Reference yield: 85.0%

methyl bromide (74-83-9) + 5-dimethylamino-4-methyl-2-phenyl-3-one hydrochloride (54951-56-3) → 4-dimethylaminomethyl-1-phenyl-1-penten-3-one methobromide (129138-73-4)

Guidance literature:

upstream raw materials:

formaldehyd

(1E)-1-phenylpent-1-en-3-one

N,N-dimethylammonium chloride

Downstream raw materials:

4-dimethylaminomethyl-1-phenyl-1-penten-3-one methobromide

1-cysteinyl-4-dimethylaminomethyl-1-phenyl-3-pentanone hydrochloride

(E)-4-methyl-1-phenylpenta-1,4-dien-3-one

(2R,5R)-5-Methyl-2-phenyl-piperidin-4-one

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