3-{1-[2-(4-Hydroxyphenyl)ethyl]-3-isobutylpyrrolidin-3-yl}phenol hydrochloride hydrate

Base Information

• Chemical Name: 3-{1-[2-(4-Hydroxyphenyl)ethyl]-3-isobutylpyrrolidin-3-yl}phenol hydrochloride hydrate
• CAS No.: 65902-80-9
• Molecular Formula: C₂₈H₃₇N₃O₃S
• Molecular Weight: 495.686
• DSSTox Substance ID: DTXSID40276161,DTXSID40982255
• Mol file: 65902-80-9.mol

Synonyms:3-{1-[2-(4-hydroxyphenyl)ethyl]-3-isobutylpyrrolidin-3-yl}phenol hydrochloride hydrate;64047-90-1;Phenol, m-(1-(p-hydroxyphenethyl)-3-isobutyl-3-pyrrolidinyl)-, hydrochloride, hydrate;DTXSID40276161;DTXSID40982255;Pyrrolidine, 1-(p-hydroxyphenethyl)-3-(m-hydroxyphenyl)-3-isobutyl-, hydrochloride, hydrate;3-{1-[2-(4-Hydroxyphenyl)ethyl]-3-(2-methylpropyl)pyrrolidin-3-yl}phenol--hydrogen chloride--water (1/1/1)

Chemical Property of 3-{1-[2-(4-Hydroxyphenyl)ethyl]-3-isobutylpyrrolidin-3-yl}phenol hydrochloride hydrate

Chemical Property:

• Melting Point: 99-101 °C
• Boiling Point: 657.8±65.0 °C(Predicted)
• PKA: 16.00±0.40(Predicted)
• PSA: 26.30000
• Density: 1.20±0.1 g/cm3(Predicted)
• LogP: 2.39770
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 393.2070716
• Heavy Atom Count: 27
• Complexity: 405

Purity/Quality:

99.0%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CC1(CCN(C1)CCC2=CC=C(C=C2)O)C3=CC(=CC=C3)O.O.Cl

Technology Process of 3-{1-[2-(4-Hydroxyphenyl)ethyl]-3-isobutylpyrrolidin-3-yl}phenol hydrochloride hydrate

There total 1 articles about 3-{1-[2-(4-Hydroxyphenyl)ethyl]-3-isobutylpyrrolidin-3-yl}phenol hydrochloride hydrate 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:

→ N,N-diethyl-4-[3-(6-methoxy-4,9-dihydro-3H-β-carbolin-1-yl)-1-methyl-propyl]-2,6-dimethyl-benzenesulfonamide (65902-80-9)

Guidance literature:

Aus Amid XI u. POCl3;

DOI:10.1007/BF00469893