CID 657209

Base Information

• Chemical Name: CID 657209
• CAS No.: 5870-29-1
• Molecular Formula: C₁₇H₂₅NO₃*ClH
• Molecular Weight: 327.851
• Hs Code.: 2922509090
• Mol file: 5870-29-1.mol

Synonyms:

Chemical Property of CID 657209

Chemical Property:

• Vapor Pressure: 1.91E-07mmHg at 25°C
• Melting Point: 137-141°
• Boiling Point: 409.7°Cat760mmHg
• Flash Point: 201.5°C
• PSA: 49.77000
• Density: g/cm³
• LogP: 2.98210
• Storage Temp.: −20°C
• Solubility.: Very soluble in water, freely soluble in ethanol (96 per cent). It shows polymorphism (5.9).
• 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:

99.5% ^*data from raw suppliers

Cyclopentolate hydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: [H+].CN(C)CCOC(=O)C(C1=CC=CC=C1)C2(CCCC2)O.[Cl-]
• Description: Cyclopentolate is an antagonist of muscarinic acetylcholine receptors (Kis = 1.62, 27.5, and 2.63 nM for M1, M2, and M3 receptors, respectively). It inhibits carbachol-induced contraction of isolated human iris sphincter, circular ciliary muscle, and longitudinal ciliary muscle (Kbs = 7.9, 15.8, and 12.5 nM, respectively). Formulations containing cyclopentolate have been used to induce pupil dilation and to prevent the eye from accommodating for near vision.
• Uses: Mydriatic;Cholinergic receptor antagonist antiviral A mydriatic
• Clinical Use: Cyclopentolate Hydrochloride is used only for its effects on the eye, where it acts asa parasympatholytic. When placed in the eye, it quickly producescycloplegia and mydriasis. Its primary field of usefulnessis in refraction studies. Cyclopentolate hydrochloridecan be used, however, as a mydriatic in the management ofiritis, iridocyclitis, keratitis, and choroiditis. Although itdoes not seem to affect intraocular tension significantly, it isbest to be very cautious with patients with high intraocularpressure and with elderly patients with possible unrecognizedglaucomatous changes.

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