alpha-Methylthiofentanyl

Base Information

• Chemical Name: alpha-Methylthiofentanyl
• CAS No.: 103963-66-2
• Molecular Formula: C₂₁H₂₈N₂OS
• Molecular Weight: 356.532
• UNII: NF684LIF79
• DSSTox Substance ID: DTXSID90861243
• Nikkaji Number: J472.979J
• Wikipedia: Alphamethylthiofentanyl
• Wikidata: Q4735265
• Metabolomics Workbench ID: 146125
• ChEMBL ID: CHEMBL2365807
• Mol file: 103963-66-2.mol

Synonyms:alpha-Methylthiofentanyl;103963-66-2;UNII-NF684LIF79;NF684LIF79;Propanamide, N-(1-(1-methyl-2-(2-thienyl)ethyl)-4-piperidinyl)-N-phenyl-;Propanamide, N-[1-[1-methyl-2-(2-thienyl)ethyl]-4-piperidinyl]-N-phenyl-;NCGC00247694-01;DEA No. 9832;alpha-methylthiofentanil;ACSCN-9832;IDS-NA-017;CHEMBL2365807;SCHEMBL15734576;.ALPHA.-METHYLTHIOFENTANYL;DTXSID90861243;IDS-NA-017(SECT.3);.ALPHA.-METHYL-THIOFENTANYL;N-(1-Methyl-2-(2-thienyl)ethyl-4-piperidinyl)-N-phenylpropanamide;N-phenyl-N-[1-(1-thiophen-2-ylpropan-2-yl)piperidin-4-yl]propanamide;DB01470;Q4735265;N-(1-(1-METHYL-2-(2-THIENYL)ETHYL)-4-PIPERIDYL)PROPIONANILIDE

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Chemical Property of alpha-Methylthiofentanyl

Chemical Property:

• Vapor Pressure: 3.51E-09mmHg at 25°C
• Boiling Point: 474.8°Cat760mmHg
• PKA: 8.74±0.20(Predicted)
• Flash Point: 240.9°C
• PSA: 51.79000
• Density: 1.137g/cm³
• LogP: 4.52460
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 356.19223469
• Heavy Atom Count: 25
• Complexity: 416

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(=O)N(C1CCN(CC1)C(C)CC2=CC=CS2)C3=CC=CC=C3

Technology Process of alpha-Methylthiofentanyl

There total 4 articles about alpha-Methylthiofentanyl 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:

1-phenylmethyl-4-piperidone (3612-20-2) → N-<1-<1-Methyl-2-(2-thienyl)ethyl>-4-piperidyl>-N-phenylpropanamide (103963-66-2)

Guidance literature:

Multi-step reaction with 4 steps

1: 1) p-toluenesulfonic acid monohydrate, 2) NaBH₄ / 1) toluene, 22 h, reflux, 2) ethanol, rt, 3 h

2: toluene / 3 h / Heating

3: 95 percent / H₂, conc. HCl / 10 percent Pd/C / ethanol / 50 °C / 2068.6 Torr

4: 1) HCl 2) sodium cyanoborohydride / 1) rt, 24 h, MeOH, 2) rt, 50 h

With hydrogenchloride; sodium tetrahydroborate; hydrogen; sodium cyanoborohydride; toluene-4-sulfonic acid; palladium on activated charcoal; In ethanol; toluene;

DOI:10.1002/jhet.5570260329

Reference yield:

N-(1-benzyl-4-piperidinyl)-N-phenylpropionamide (1474-02-8) → N-<1-<1-Methyl-2-(2-thienyl)ethyl>-4-piperidyl>-N-phenylpropanamide (103963-66-2)

Guidance literature:

Multi-step reaction with 2 steps

1: 95 percent / H₂, conc. HCl / 10 percent Pd/C / ethanol / 50 °C / 2068.6 Torr

2: 1) HCl 2) sodium cyanoborohydride / 1) rt, 24 h, MeOH, 2) rt, 50 h

With hydrogenchloride; hydrogen; sodium cyanoborohydride; palladium on activated charcoal; In ethanol;

DOI:10.1002/jhet.5570260329

Reference yield:

1-benzyl-N-phenylpiperidin-4-amine (1155-56-2) → N-<1-<1-Methyl-2-(2-thienyl)ethyl>-4-piperidyl>-N-phenylpropanamide (103963-66-2)

Guidance literature:

Multi-step reaction with 3 steps

1: toluene / 3 h / Heating

2: 95 percent / H₂, conc. HCl / 10 percent Pd/C / ethanol / 50 °C / 2068.6 Torr

3: 1) HCl 2) sodium cyanoborohydride / 1) rt, 24 h, MeOH, 2) rt, 50 h

With hydrogenchloride; hydrogen; sodium cyanoborohydride; palladium on activated charcoal; In ethanol; toluene;

DOI:10.1002/jhet.5570260329

upstream raw materials:

1-phenylmethyl-4-piperidone

1-benzyl-N-phenylpiperidin-4-amine

N-(1-benzyl-4-piperidinyl)-N-phenylpropionamide

aniline