Despropionyl 3-methylfentanyl, trans-

Base Information

• Chemical Name: Despropionyl 3-methylfentanyl, trans-
• CAS No.: 53758-12-6
• Molecular Formula: C₂₀H₂₆N₂
• Molecular Weight: 294.44
• UNII: EHE5RD9S9S

Synonyms:Despropionyl 3-methylfentanyl, trans-;EHE5RD9S9S;53758-12-6;4-Piperidinamine, 3-methyl-N-phenyl-1-(2-phenylethyl)-, (3R,4R)-rel-

Chemical Property of Despropionyl 3-methylfentanyl, trans-

Chemical Property:

• XLogP3: 4.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 294.209598838
• Heavy Atom Count: 22
• Complexity: 305

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CN(CCC1NC2=CC=CC=C2)CCC3=CC=CC=C3
• Isomeric SMILES: C[C@@H]1CN(CC[C@H]1NC2=CC=CC=C2)CCC3=CC=CC=C3

Technology Process of Despropionyl 3-methylfentanyl, trans-

There total 7 articles about Despropionyl 3-methylfentanyl, trans- 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:

3-methyl-1-phenethylpiperidin-4-one (82003-82-5) → ((3R,4S)-3-Methyl-1-phenethyl-piperidin-4-yl)-phenyl-amine (53758-12-6,53758-14-8,53758-15-9,57444-97-0,82003-80-3,144480-31-9)

Guidance literature:

Multi-step reaction with 2 steps

1: TsOH*H₂O / toluene / 50 h / Heating

2: NaBH₄ / methanol / 2 h / Ambient temperature

With sodium tetrahydroborate; toluene-4-sulfonic acid; In methanol; toluene;

DOI:10.1021/jm00350a006

Reference yield:

3-methyl-1-phenethylpiperidin-4-one (82003-82-5) → ((3S,4S)-3-Methyl-1-phenethyl-piperidin-4-yl)-phenyl-amine (53758-12-6,53758-14-8,53758-15-9,57444-97-0,82003-80-3,144480-31-9)

Guidance literature:

Multi-step reaction with 2 steps

1: TsOH*H₂O / toluene / 50 h / Heating

2: NaBH₄ / methanol / 2 h / Ambient temperature

With sodium tetrahydroborate; toluene-4-sulfonic acid; In methanol; toluene;

DOI:10.1021/jm00350a006

Reference yield:

[3-Methyl-1-phenethyl-piperidin-(4E)-ylidene]-phenyl-amine → ((3R,4S)-3-Methyl-1-phenethyl-piperidin-4-yl)-phenyl-amine (53758-12-6,53758-14-8,53758-15-9,57444-97-0,82003-80-3,144480-31-9) + ((3S,4S)-3-Methyl-1-phenethyl-piperidin-4-yl)-phenyl-amine (53758-12-6,53758-14-8,53758-15-9,57444-97-0,82003-80-3,144480-31-9)

Guidance literature:

With sodium tetrahydroborate; In methanol; Ambient temperature;

DOI:10.1021/jm00172a032

upstream raw materials:

3-methyl-1-phenethylpiperidin-4-one

aniline

Downstream raw materials:

2-Methoxy-N-((3S,4R)-3-methyl-1-phenethyl-piperidin-4-yl)-N-phenyl-propionamide

2-Methoxy-N-((3R,4R)-3-methyl-1-phenethyl-piperidin-4-yl)-N-phenyl-propionamide

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