Carbamic acid, methylphenyl-, 3-(octahydro-1-methylcyclopenta(b)pyrrol-2-yl)propyl ester, monohydrochloride, (2-alpha,3a-beta,6a-beta)-

Base Information

• Chemical Name: Carbamic acid, methylphenyl-, 3-(octahydro-1-methylcyclopenta(b)pyrrol-2-yl)propyl ester, monohydrochloride, (2-alpha,3a-beta,6a-beta)-
• CAS No.: 125503-59-5
• Molecular Formula: C₁₉H₂₈N₂O₂*ClH
• Molecular Weight: 352.904
• DSSTox Substance ID: DTXSID10154785
• Mol file: 125503-59-5.mol

Synonyms:3-(1-Methyl-2-cyclopenta(b)pyrrolidinyl)-1-propyl-N-methyl-N-phenyl carbamate hydrochloride;Carbamic acid, methylphenyl-, 3-(octahydro-1-methylcyclopenta(b)pyrrol-2-yl)propyl ester, monohydrochloride, (2-alpha,3a-beta,6a-beta)-;125503-59-5;DTXSID10154785;LS-50350

Chemical Property of Carbamic acid, methylphenyl-, 3-(octahydro-1-methylcyclopenta(b)pyrrol-2-yl)propyl ester, monohydrochloride, (2-alpha,3a-beta,6a-beta)-

Chemical Property:

• Vapor Pressure: 3.88E-07mmHg at 25°C
• Boiling Point: 416.2°Cat760mmHg
• Flash Point: 205.5°C
• Density: g/cm³
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 352.1917559
• Heavy Atom Count: 24
• Complexity: 395

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C2CCCC2CC1CCCOC(=O)N(C)C3=CC=CC=C3.Cl
• Isomeric SMILES: CN1[C@H]2CCC[C@H]2C[C@H]1CCCOC(=O)N(C)C3=CC=CC=C3.Cl

Technology Process of Carbamic acid, methylphenyl-, 3-(octahydro-1-methylcyclopenta(b)pyrrol-2-yl)propyl ester, monohydrochloride, (2-alpha,3a-beta,6a-beta)-

There total 1 articles about Carbamic acid, methylphenyl-, 3-(octahydro-1-methylcyclopenta(b)pyrrol-2-yl)propyl ester, monohydrochloride, (2-alpha,3a-beta,6a-beta)- 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: 68.0%

N-phenyl-N-methylcarbamoyl chloride (4285-42-1) + 3-(1-methyl-2-cyclopentapyrrolidinyl)propan-1-ol (29369-04-8,96150-19-5,125590-27-4) → 3-<1-methyl-2-cyclopentapyrrolidinyl>-1-propyl-N-methyl-N-phenyl carbamate hydrochloride (125503-59-5)

Guidance literature:

at 110 - 120 ℃; for 4h;

DOI:10.1007/BF00764664

upstream raw materials:

N-phenyl-N-methylcarbamoyl chloride

3-(1-methyl-2-cyclopentapyrrolidinyl)propan-1-ol

Refernces