cocaine hydrochloride

Base Information

• Chemical Name: cocaine hydrochloride
• CAS No.: 113775-05-6
• Molecular Formula: C₁₇H₂₁NO₄*ClH
• Molecular Weight: 339.819
• Mol file: 113775-05-6.mol

Synonyms:8-Azabicyclo[3.2.1]octane-2-carboxylicacid, 3-(benzoyloxy)-8-methyl-, methyl ester, hydrochloride, [1S-(exo,exo)]-(9CI)

Chemical Property of cocaine hydrochloride

Chemical Property:

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of cocaine hydrochloride

There total 8 articles about cocaine hydrochloride 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: 100.0%

(+)-pseudococaine (478-73-9) → Pseudococaine hydrochloride (53-21-4,6363-57-1,21030-50-2,56222-58-3,78993-15-4,109496-04-0,109582-53-8,112547-19-0,113775-05-6,131829-34-0)

Guidance literature:

With hydrogenchloride; In methanol; at 20 ℃; for 0.0833333h; Inert atmosphere;

DOI:10.1021/ol3020607

Reference yield:

tert-butyl (1S,2S,7R)-2-hydroxy-7-{[(1R)-1-(4-methoxyphenyl)ethyl](methyl)amino}cyclohept-3-ene-1-carboxylate (1393359-52-8) → Pseudococaine hydrochloride (53-21-4,6363-57-1,21030-50-2,56222-58-3,78993-15-4,109496-04-0,109582-53-8,112547-19-0,113775-05-6,131829-34-0)

Guidance literature:

Multi-step reaction with 4 steps

1.1: 2,2'-azobis(isobutyronitrile); iodine / dichloromethane / 12 h / 20 °C / Inert atmosphere

1.2: 0.25 h / 20 °C / Inert atmosphere

1.3: 5 h / Inert atmosphere; Reflux

2.1: thionyl chloride / 5 h / 50 °C / Inert atmosphere

2.2: 4 h / Inert atmosphere

3.1: dmap; triethylamine / dichloromethane / 12 h / 20 °C / Inert atmosphere

3.2: Inert atmosphere

4.1: hydrogenchloride / methanol / 0.08 h / 20 °C / Inert atmosphere

With hydrogenchloride; dmap; thionyl chloride; 2,2'-azobis(isobutyronitrile); iodine; triethylamine; In methanol; dichloromethane;

DOI:10.1021/ol3020607

Reference yield:

tert-butyl (2S,3R)-2-[(1S)-1-hydroxyprop-2-en-1-yl]-3-{[(1R)-1-(4-methoxyphenyl)ethyl](methyl)amino}hept-6-enoate (1393359-48-2) → Pseudococaine hydrochloride (53-21-4,6363-57-1,21030-50-2,56222-58-3,78993-15-4,109496-04-0,109582-53-8,112547-19-0,113775-05-6,131829-34-0)

Guidance literature:

Multi-step reaction with 5 steps

1.1: Grubbs catalyst first generation / dichloromethane / 12 h / 30 °C / Inert atmosphere

1.2: 12 h / 20 °C / Inert atmosphere

2.1: 2,2'-azobis(isobutyronitrile); iodine / dichloromethane / 12 h / 20 °C / Inert atmosphere

2.2: 0.25 h / 20 °C / Inert atmosphere

2.3: 5 h / Inert atmosphere; Reflux

3.1: thionyl chloride / 5 h / 50 °C / Inert atmosphere

3.2: 4 h / Inert atmosphere

4.1: dmap; triethylamine / dichloromethane / 12 h / 20 °C / Inert atmosphere

4.2: Inert atmosphere

5.1: hydrogenchloride / methanol / 0.08 h / 20 °C / Inert atmosphere

With Grubbs catalyst first generation; hydrogenchloride; dmap; thionyl chloride; 2,2'-azobis(isobutyronitrile); iodine; triethylamine; In methanol; dichloromethane;

DOI:10.1021/ol3020607

upstream raw materials:

tert-butyl (1S,2S,7R)-2-hydroxy-7-{[(1R)-1-(4-methoxyphenyl)ethyl](methyl)amino}cyclohept-3-ene-1-carboxylate

tert-butyl (1R,2S,3R,4R,5S)-3-hydroxy-4-iodo-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate

tert-butyl (1R,2S,3S,5S)-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate

tert-butyl (2S,3R)-2-[(1S)-1-hydroxyprop-2-en-1-yl]-3-{[(1R)-1-(4-methoxyphenyl)ethyl](methyl)amino}hept-6-enoate

Refernces