(-)-MDL 100907

Base Information

• Chemical Name: (-)-MDL 100907
• CAS No.: 175673-57-1
• Molecular Formula: C22H28FNO3
• Molecular Weight: 373.468
• Mol file: 175673-57-1.mol

Synonyms:1-[(3s)-3-cyclohexyl-3-hydroxy-3-phenylpropyl]-1-methylpyrrolidinium iodide;(S)-(2,3-dimethoxyphenyl)-{1-[2-(4-fluorophenyl)-ethyl]-piperidin-4-yl}-methanol;(S)-(+)-Tricyclamoliodid;(R)-(2,3-dimethoxyphenyl)-{1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl}methanol;

Chemical Property of (-)-MDL 100907

Chemical Property:

• Boiling Point: 499.4±45.0 °C(Predicted)
• PKA: 13.93±0.20(Predicted)
• PSA: 41.93000
• Density: 1.150±0.06 g/cm3(Predicted)
• LogP: 3.76890
• Storage Temp.: 2-8°C

Purity/Quality:

98% ^*data from raw suppliers

(-)-MDL 100907 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of (-)-MDL 100907

There total 14 articles about (-)-MDL 100907 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: 96.0%

(2-bromoethyl)-4-fluorobenzene (332-42-3) + (S)-(-)-α-(2,3-dimethoxyphenyl)-4-piperidinemethanol (311348-76-2) → (-)-MDL 100907 (175673-57-1)

Guidance literature:

With sodium hydrogencarbonate; In N,N-dimethyl-formamide; at 85 ℃; for 1.5h;

DOI:10.1016/S0968-0896(00)00175-9

Reference yield: 71.0%

(S)-(-)-α-(2-hydroxy-3-methoxyphenyl)-1-[2-(4-fluorophenyl)ethyl]-4-piperidinemethanone (175553-30-7) + methyl iodide (74-88-4) → (-)-MDL 100907 (175673-57-1)

Guidance literature:

With potassium hydroxide; In N,N,N,N,N,N-hexamethylphosphoric triamide; dichloromethane; at 22 ℃; for 0.166667h;

Reference yield: 68.7%

(S)-α-(2,3-dimethoxyphenyl)-1-[2-(4-fluorophenyl)ethyl]-4-piperidinemethanol, (2S,3S)-(+)-di-(p-anisoyl)-tartaric acid salt (869749-06-4) → (2S,3S)-(+)-di-(p-anisoyl)-tartaric acid, potassium salt + (-)-MDL 100907 (175673-57-1)

Guidance literature:

With potassium carbonate; In methanol; water; toluene; at 50 - 60 ℃; for 1.25 - 1.75h;

upstream raw materials:

(S)-(-)-α-(2-hydroxy-3-methoxyphenyl)-1-[2-(4-fluorophenyl)ethyl]-4-piperidinemethanone

methyl iodide

(S,S)-(+)-α-[(2,3-dimethoxyphenyl)-[1-[2-(4-fluorophenyl)ethyl]-4-piperidinyl]methyl]-α-methoxybenzene acetate

(2-bromoethyl)-4-fluorobenzene

Downstream raw materials:

(S)-(-)-α-(2-hydroxy-3-methoxyphenyl)-1-[2-(4-fluorophenyl)ethyl]-4-piperidinemethanone

(2,3-dimethoxy-phenyl)-{1-[2-(4-fluoro-phenyl)-ethyl]-piperidin-4-yl}-methanol