Buphedrone

Base Information

• Chemical Name: Buphedrone
• CAS No.: 408332-79-6
• Molecular Formula: C11H15NO
• Molecular Weight: 177.246
• UNII: VD73947M0O
• DSSTox Substance ID: DTXSID701014170
• Nikkaji Number: J2.929.921H
• Wikipedia: Buphedrone
• Wikidata: Q4998026
• ChEMBL ID: CHEMBL3298875
• Mol file: 408332-79-6.mol

Synonyms:buphedrone

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Chemical Property of Buphedrone

Chemical Property:

• Boiling Point: 272.308 °C at 760 mmHg
• PKA: 7.14±0.20(Predicted)
• Flash Point: 105.034 °C
• PSA: 29.10000
• Density: 0.986 g/cm³
• LogP: 2.25820
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 177.115364102
• Heavy Atom Count: 13
• Complexity: 162

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C(=O)C1=CC=CC=C1)NC

Technology Process of Buphedrone

There total 7 articles about Buphedrone 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:

N-methyl-1-oxo-1-phenylbutan-2-aminium chloridum → 2-(N-methylamino)-1-phenyl-1-butanone (408332-79-6)

Guidance literature:

With potassium carbonate; In water; at 20 ℃;

DOI:10.1016/j.molstruc.2011.06.030

Reference yield:

2-bromo-1-phenylbutan-1-one (877-35-0,73908-28-8) + methylamine (74-89-5) → 2-(N-methylamino)-1-phenyl-1-butanone (408332-79-6)

Guidance literature:

With ethanol;

Reference yield:

2-(N-tert-butoxycarbonyl-N-methylamino)-1-phenyl-1-butanone (698351-27-8) → 2-(N-methylamino)-1-phenyl-1-butanone (408332-79-6)

Guidance literature:

With methoxybenzene; trifluoroacetic acid; In dichloromethane; for 0.75h;

DOI:10.1139/v03-165

upstream raw materials:

propiophenone

methylamine

2-bromo-1-phenylbutan-1-one

2-(N-tert-butoxycarbonyl-N-methylamino)-1-phenyl-1-butanone

Downstream raw materials:

(S)-buphedrone

(R)-buphedrone

2-(N-methylamino)-1-phenyl-1-butanol

Refernces

• 1、 Nycz, Jacek E.,Malecki, Grzegorz,Zawiazalec, Marcin,Pazdziorek, Tadeusz. "X-ray structures and computational studies of several cathinones". experimental part. p. 10 - 18. Retrieved 2011/11/05.