(2'S,3R,4S)-2'-Hydroxy-3-methylfentanyl

Base Information

• Chemical Name: (2'S,3R,4S)-2'-Hydroxy-3-methylfentanyl
• CAS No.: 143343-92-4
• Molecular Formula: C23H30 N2 O2
• Molecular Weight: 366.503
• DSSTox Substance ID: DTXSID701124694
• Nikkaji Number: J654.501G
• Wikidata: Q905028
• ChEMBL ID: CHEMBL3040151
• Mol file: 143343-92-4.mol

Synonyms:143343-92-4;(2'S,3R,4S)-2'-Hydroxy-3-methylfentanyl;SCHEMBL247388;CHEMBL3040151;DTXSID701124694;AKOS022183572;LS-119297;F-9204;Q905028;N-[(3R,4S)-1-[(2S)-2-Hydroxy-2-phenylethyl]-3-methyl-4-piperidinyl]-N-phenylpropanamide

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Chemical Property of (2'S,3R,4S)-2'-Hydroxy-3-methylfentanyl

Chemical Property:

• XLogP3: 3.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 366.230728204
• Heavy Atom Count: 27
• Complexity: 457

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(=O)N(C1CCN(CC1C)CC(C2=CC=CC=C2)O)C3=CC=CC=C3
• Isomeric SMILES: CCC(=O)N([C@H]1CCN(C[C@H]1C)C[C@H](C2=CC=CC=C2)O)C3=CC=CC=C3

Technology Process of (2'S,3R,4S)-2'-Hydroxy-3-methylfentanyl

There total 7 articles about (2'S,3R,4S)-2'-Hydroxy-3-methylfentanyl 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-benzyl-3-methyl-N-phenyl-4-piperidinamine (58329-00-3) → (2S,3R,4S)-Ohmefentanyl (143343-92-4,78995-14-9)

Guidance literature:

Multi-step reaction with 5 steps

1: 10 g / H₂ / 10percent Pd/C / ethanol / 6 h / 60 °C / 775.7 Torr

3: 81 percent / ethanol / 40 °C

4: toluene / 5 h / Heating

5: K₂CO₃ / methanol; H₂O / Ambient temperature

With hydrogen; potassium carbonate; palladium on activated charcoal; In methanol; ethanol; water; toluene;

DOI:10.1021/jm00018a026

Reference yield:

(3R,4S,2'S)-cis-N-<1-<2-(propionyloxy)-2-phenylethyl>-3-methyl-4-piperidyl>-N-phenylpropanamide (166768-18-9) → (2S,3R,4S)-Ohmefentanyl (143343-92-4,78995-14-9)

Guidance literature:

With potassium carbonate; In methanol; water; Ambient temperature;

DOI:10.1021/jm00018a026

Reference yield:

(S)-styrene oxide (20780-54-5) → (2S,3R,4S)-Ohmefentanyl (143343-92-4,78995-14-9)

Guidance literature:

Multi-step reaction with 3 steps

1: 81 percent / ethanol / 40 °C

2: toluene / 5 h / Heating

3: K₂CO₃ / methanol; H₂O / Ambient temperature

With potassium carbonate; In methanol; ethanol; water; toluene;

DOI:10.1021/jm00018a026

upstream raw materials:

(3R,4S,2'S)-cis-N-<1-<2-(propionyloxy)-2-phenylethyl>-3-methyl-4-piperidyl>-N-phenylpropanamide

(S)-styrene oxide

(+/-)-cis-3-methyl-N-phenyl-4-piperidinamine

1-benzyl-3-methyl-N-phenyl-4-piperidinamine