Dimepheptanol

Base Information

• Chemical Name: Dimepheptanol
• CAS No.: 545-90-4
• Molecular Formula: C21H29 N O
• Molecular Weight: 311.467
• NSC Number: 50384
• UNII: NNB4I01PA7
• DSSTox Substance ID: DTXSID40110031
• Nikkaji Number: J6.425D
• Wikipedia: Dimepheptanol
• Wikidata: Q5277286
• NCI Thesaurus Code: C77289
• ChEMBL ID: CHEMBL368591
• Mol file: 545-90-4.mol

Synonyms:(3R,6R)-3-Acetoxy-6-dimethylamino-4,4-diphenylheptane;6-(Dimethylamino)-4,4-Diphenyl-3-Heptanol Acetate;Acemethadone;Acetylmethadol;Alphacetylmethadol;Amidolacetate;Dimepheptanol;LAAM;Levo alpha Acetylmethadol;Levo-alpha-Acetylmethadol;Levoacetylmethadol;Levomethadyl;Levomethadyl Acetate;Levomethadyl Acetate Hydrochloride;Methadol;Methadyl Acetate;ORLAAM

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

Chemical Property of Dimepheptanol

Chemical Property:

• Vapor Pressure: 2.08E-08mmHg at 25°C
• Melting Point: 127 °C
• Boiling Point: 437°Cat760mmHg
• PKA: 14.56±0.20(Predicted)
• Flash Point: 168.4°C
• PSA: 23.47000
• Density: 1.013g/cm³
• LogP: 4.08380
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 7
• Exact Mass: 311.224914549
• Heavy Atom Count: 23
• Complexity: 311

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Dimepheptanol

There total 8 articles about Dimepheptanol 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:

methadone hydrochloride (1095-90-5) → dimepheptanol (545-90-4)

Guidance literature:

With sodium borohydrid; In ethanol; ethyl acetate;

Reference yield:

→ (+/-)-alpha-methadol (545-90-4,14019-10-4,15529-92-7,17199-54-1,17199-55-2,63869-11-4,86360-60-3)

Guidance literature:

With methanol; platinum; Hydrogenation;

DOI:10.1021/jo01161a023

Reference yield:

(+/-)-threo-5-acetoxy-2-dimethylamino-4,4-diphenyl-heptane (509-74-0,1477-40-3,1553-31-7,14623-72-4,17199-58-5,17199-59-6,66944-76-1,34433-66-4) → (+/-)-alpha-methadol (545-90-4,14019-10-4,15529-92-7,17199-54-1,17199-55-2,63869-11-4,86360-60-3)

Guidance literature:

Multi-step reaction with 4 steps

1: (i) diethyl diazenedicarboxylate, benzene, (ii) aq. NH₄Cl, EtOH

2: KMnO₄, CaSO₄ / 2-methyl-propan-2-ol; H₂O

3: Fe, aq. HCl / ethanol / Heating

4: aq. HCO₂H

With hydrogenchloride; calcium sulfate; potassium permanganate; formic acid; iron; In ethanol; water; tert-butyl alcohol;

DOI:10.1021/jm00237a010

upstream raw materials:

methadone hydrochloride

formaldehyd

(+/-)-threo-5-acetoxy-2-dimethylamino-4,4-diphenyl-heptane

Downstream raw materials:

6-dimethylamino-4,4-diphenyl-3-acetoxyheptane

(+/-)-erythro-5-acetoxy-2-dimethylamino-4,4-diphenyl-heptane

Refernces

• 1、 -. "GLYCOCONJUGATES OF OPIATED SUBSTANCES". . . Retrieved 2008/06/13.
• 2、 Casy,Hassan. "Some arylalkylamino analogs of acyclic analgetics.". . p. 599 - 601. Retrieved 2007/10/05.