Noralfentanil

Base Information

• Chemical Name: Noralfentanil
• CAS No.: 61086-18-8
• Molecular Formula: C16H24 N2 O2
• Molecular Weight: 276.379
• Hs Code.: 2933399090
• European Community (EC) Number: 262-598-1
• UNII: IO6G3L550Q
• DSSTox Substance ID: DTXSID90209964
• Nikkaji Number: J268.390C
• Wikidata: Q27280822
• Mol file: 61086-18-8.mol

Synonyms:4-MPPP;N-(4-(methoxymethyl)-4-piperidinyl)-N-phenylpropanamide;noralfentanil;noralfentanil, (phenyl-3-t)-labeled cpd

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Chemical Property of Noralfentanil

Chemical Property:

• Vapor Pressure: 2.83E-06mmHg at 25°C
• Boiling Point: 389.5°C at 760 mmHg
• PKA: 9.77±0.10(Predicted)
• Flash Point: 189.4°C
• PSA: 41.57000
• Density: 1.069g/cm³
• LogP: 2.52700
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 276.183778013
• Heavy Atom Count: 20
• Complexity: 308

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(=O)N(C1=CC=CC=C1)C2(CCNCC2)COC

Technology Process of Noralfentanil

There total 2 articles about Noralfentanil 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: 98.0%

1-benzyl-4-[N-(1-oxopropyl)-N-phenylamino]-4-(methoxymethyl)piperidine (61086-12-2) → N-[4-(methoxymethyl)-4-piperidinyl]-N-phenylpropanamide (61086-18-8)

Guidance literature:

1-benzyl-4-[N-(1-oxopropyl)-N-phenylamino]-4-(methoxymethyl)piperidine; With hydrogenchloride; hydrogen; acetic acid; palladium 10% on activated carbon; In water; at 50 ℃; for 21h; under 3102.97 Torr;

With sodium hydroxide; In water; at 0 ℃; pH=~ 13;

Reference yield:

→ N-[4-(methoxymethyl)-4-piperidinyl]-N-phenylpropanamide (61086-18-8)

Guidance literature:

N-Benzylderiv. 53a, H2/Pd-C;

Reference yield: 96.0%

N-[4-(methoxymethyl)-4-piperidinyl]-N-phenylpropanamide (61086-18-8) + Toluene-4-sulfonic acid 2-(1-oxo-1,3-dihydro-isoindol-2-yl)-ethyl ester (131728-60-4) → N-{4-Methoxymethyl-1-[2-(1-oxo-1,3-dihydro-isoindol-2-yl)-ethyl]-piperidin-4-yl}-N-phenyl-propionamide (131728-58-0)

Guidance literature:

With sodium carbonate; sodium iodide; In acetonitrile; Heating;

DOI:10.1021/jm00106a051

upstream raw materials:

1-benzyl-4-[N-(1-oxopropyl)-N-phenylamino]-4-(methoxymethyl)piperidine

Downstream raw materials:

N-[1-(2,3-Dihydro-benzo[1,4]dioxin-2-ylmethyl)-4-methoxymethyl-piperidin-4-yl]-N-phenyl-propionamide

N-[4-Methoxymethyl-1-(2-pyridin-4-yl-ethyl)-piperidin-4-yl]-N-phenyl-propionamide

N-(phenyl)-N-[1-(2-(1H-pyrrol-1-yl)ethyl)-4-methoxymethyl-4-piperidinyl]propanamide

N-<1-(2-hydroxy-2-phenylethyl)-4-(methoxymethyl)-4-piperidinyl>-N-phenylpropanamide

Refernces

• 1、 Srimurugan, Sankareswaran,Murugan, Kaliyappan,Chen, Chinpiao. "A facile method for preparation of [2H3]-sufentanil and its metabolites". experimental part. p. 1421 - 1424. Retrieved 2010/06/14.
• 2、 -. "N-(4-piperidinyl)-N-phenylamides". . . Retrieved 2008/06/13.