CID 657209

Base Information

• Chemical Name: CID 657209
• CAS No.: 60452-46-2
• Molecular Formula: C₁₇H₂₅NO₃*ClH
• Molecular Weight: 327.851
• Mol file: 60452-46-2.mol

Synonyms:

Chemical Property of CID 657209

Chemical Property:

• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 327.1601214
• Heavy Atom Count: 22
• Complexity: 331

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: [H+].CN(C)CCOC(=O)C(C1=CC=CC=C1)C2(CCCC2)O.[Cl-]

Technology Process of CID 657209

There total 3 articles about CID 657209 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: 63.0%

Cyclopentolate (512-15-2,744995-89-9,749152-65-6,204990-63-6) → cyclopentolate hydrochloride (5870-29-1,60452-44-0,60452-46-2)

Guidance literature:

With hydrogenchloride; In methanol; tert-butyl methyl ether;

Reference yield:

phenylacetic acid (103-82-2) → cyclopentolate hydrochloride (5870-29-1,60452-44-0,60452-46-2)

Guidance literature:

Multi-step reaction with 3 steps

1.1: lithium diisopropyl amide / tetrahydrofuran / 1 h / 0 °C / Inert atmosphere

1.2: 10 h / -60 - 20 °C / Inert atmosphere

2.1: potassium carbonate / ethyl acetate / 0.5 h

2.2: 1 h / 60 °C

3.1: hydrogenchloride / tert-butyl methyl ether; methanol

With hydrogenchloride; potassium carbonate; lithium diisopropyl amide; In tetrahydrofuran; methanol; tert-butyl methyl ether; ethyl acetate;

Reference yield:

cyclopentanone (120-92-3) → cyclopentolate hydrochloride (5870-29-1,60452-44-0,60452-46-2)

Guidance literature:

Multi-step reaction with 3 steps

1.1: lithium diisopropyl amide / tetrahydrofuran / 1 h / 0 °C / Inert atmosphere

1.2: 10 h / -60 - 20 °C / Inert atmosphere

2.1: potassium carbonate / ethyl acetate / 0.5 h

2.2: 1 h / 60 °C

3.1: hydrogenchloride / tert-butyl methyl ether; methanol

With hydrogenchloride; potassium carbonate; lithium diisopropyl amide; In tetrahydrofuran; methanol; tert-butyl methyl ether; ethyl acetate;

upstream raw materials:

phenylacetic acid

cyclopentanone

Cyclopentolate

Refernces