Cathinone

Base Information

• Chemical Name: Cathinone
• CAS No.: 71031-15-7
• Molecular Formula: C9H11 N O
• Molecular Weight: 149.192
• European Community (EC) Number: 636-099-8
• UNII: 540EI4406J
• DSSTox Substance ID: DTXSID0050427
• Nikkaji Number: J18.754B
• Wikipedia: Cathinone
• Wikidata: Q414242
• NCI Thesaurus Code: C166812
• Metabolomics Workbench ID: 53107
• ChEMBL ID: CHEMBL2104047
• Mol file: 71031-15-7.mol

Synonyms:(-)-alpha-amino-propiophenone;2-amino-1-phenyl-1-propanone;2-aminopropiophenone;alpha-aminopropiophenone;cathinine;cathinone;cathinone hydrochloride;cathinone hydrochloride, (+-)-isomer;cathinone hydrochloride, (R)-isomer;cathinone hydrochloride, (S)-isomer;cathinone, (+-)-isomer;cathinone, (S)-isomer

 This product is a nationally controlled contraband, and the Lookchem platform doesn't provide relevant sales information.

Chemical Property of Cathinone

Chemical Property:

• Vapor Pressure: 0.0167mmHg at 25°C
• Boiling Point: 255°C at 760 mmHg
• PKA: 7.97±0.29(Predicted)
• Flash Point: 108°C
• PSA: 43.09000
• Density: 1.054g/cm³
• LogP: 1.91680
• Storage Temp.: 2-8°C
• Solubility.: H2O: soluble
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 149.084063974
• Heavy Atom Count: 11
• Complexity: 139

Purity/Quality:

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22-36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(C(=O)C1=CC=CC=C1)N
• Isomeric SMILES: C[C@@H](C(=O)C1=CC=CC=C1)N

Technology Process of Cathinone

There total 8 articles about Cathinone 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:

(-)-Cathinone hydrochloride (72739-14-1) → cathinone (71031-15-7) + (R)-β‐ketoamphetamine (80096-54-4)

Guidance literature:

With sodium carbonate; In diethyl ether; water; Product distribution; other (-)-α-aminopropiophenone salts, var. solvents and time;

DOI:10.1021/jo00134a026

Reference yield:

1-Phenylpropane-1,2-dione (579-07-7) → cathinone (71031-15-7)

Guidance literature:

With N-methyl-N-[(S)-1-phenylethyl]amine; Cv-(S)-ω-transaminase; In aq. buffer; at 21 ℃; Enzymatic reaction;

DOI:10.1039/c4gc00100a

Reference yield:

(+/-)-cathinone (5265-18-9) → cathinone (71031-15-7) + (R)-β‐ketoamphetamine (80096-54-4)

Guidance literature:

With ammonium formate; In methanol; at 20 ℃; Reagent/catalyst; Solvent; Resolution of racemate;

DOI:10.1002/chir.22985

upstream raw materials:

(S)-N-(1-Methyl-2-oxo-2-phenylethyl)carbamidsaeure-(tert-butyl)ester

(-)-Cathinone hydrochloride

(+/-)-cathinone

9H-fluoren-9-ylmethyl [(1S)-2-chloro-1-methyl-oxoethyl]carbamate

Downstream raw materials:

[(S)-1-((S)-1-Methyl-2-oxo-2-phenyl-ethylcarbamoyl)-ethyl]-carbamic acid 9H-fluoren-9-ylmethyl ester

(1R,2S)-norephedrine

(1S,2S)-2-amino-1-phenylpropanol