1-Cyclohexyl-1-phenyl-3-(1-piperidinyl)-1-propanol; hydron; chloride

Base Information

• Chemical Name: 1-Cyclohexyl-1-phenyl-3-(1-piperidinyl)-1-propanol; hydron; chloride
• CAS No.: 52-49-3
• Molecular Formula: C20H32ClNO
• Molecular Weight: 337.933
• Hs Code.: 2933399090
• Mol file: 52-49-3.mol

Synonyms:AKOS015914871;A829112;1-cyclohexyl-1-phenyl-3-(1-piperidinyl)-1-propanol;hydron;chloride;1-cyclohexyl-1-phenyl-3-piperidin-1-yl-propan-1-ol

Chemical Property of 1-Cyclohexyl-1-phenyl-3-(1-piperidinyl)-1-propanol; hydron; chloride

Chemical Property:

• Melting Point: 258.5oC
• Refractive Index: 1.5790 (estimate)
• Boiling Point: 447.9 °C at 760 mmHg
• Flash Point: 211 °C
• PSA: 23.47000
• Density: 0.9801 (rough estimate)
• LogP: 5.07040
• Storage Temp.: Inert atmosphere,Room Temperature
• Solubility.: H2O: soluble
• Water Solubility.: 670.9ug/L(22.5 oC)
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 337.2172423
• Heavy Atom Count: 23
• Complexity: 314

Purity/Quality:

99% ^*data from raw suppliers

DL-Trihexyphenidyl hydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22
• Safety Statements: 36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: [H+].C1CCC(CC1)C(CCN2CCCCC2)(C3=CC=CC=C3)O.[Cl-]
• Description: Trihexyphenidyl is an antagonist of M1 muscarinic acetylcholine receptors. It binds to rat M1 receptors in cerebral cortex selectively over rat M2 receptors in heart tissue (IC50s = 3.7 and 31 nM, respectively). Trihexyphenidyl inhibits contractions induced by acetylcholine in guinea pig ileum (IC50 = 22 nM). It also inhibits oxotremorine-induced tremors and physostigmine-induced mortality in mice (ED50s = 2 and 3.6 mg/kg, respectively). Trihexyphenidyl (20 mg/kg) improves abnormal movement in a mouse model of L-3,4-dihydroxyphenylalanine (L-DOPA) responsive dystonia (DRD) that expresses mutant tyrosine hydroxylase (TH). Formulations containing trihexyphenidyl have been used in the symptomatic treatment of Parkinson''s disease.
• Uses: anticholinergic, antiparkinsonian Benzhexol hydrochloride is an anticholinergic tertiary amine that can gain access to the CNS. It is used to treat parkinsonism and the extrapyramidal side effects of anti-psychotic drugs. The drug is a muscarinic anta gonist that qualitatively resembles the belladonna alkaloids in its pharmacological actions and side effects.
• Therapeutic Function: Antiparkinsonian

Technology Process of 1-Cyclohexyl-1-phenyl-3-(1-piperidinyl)-1-propanol; hydron; chloride

There total 2 articles about 1-Cyclohexyl-1-phenyl-3-(1-piperidinyl)-1-propanol; hydron; chloride 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: 90.5%

cyclohexyl chloride (542-18-7) + 1-phenyl-3-piperidino-propan-1-one; hydrochloride (886-06-6) → trihexylphenidyl hydrochloride (52-49-3)

Guidance literature:

cyclohexyl chloride; With iodine; magnesium; In 1,2-dimethoxyethane; tert-butyl methyl ether; at 45 - 55 ℃; for 2h; Sealed tube; Inert atmosphere; Large scale;

1-phenyl-3-piperidino-propan-1-one; hydrochloride; In 1,2-dimethoxyethane; tert-butyl methyl ether; at 5 - 10 ℃; for 2h; Solvent; Sealed tube; Inert atmosphere; Large scale;

Reference yield:

→ trihexylphenidyl hydrochloride (52-49-3)

Guidance literature:

Reference yield: 42.0%

trihexylphenidyl hydrochloride (52-49-3) → trihexyphenidyl N-oxide

Guidance literature:

With sodium hydrogencarbonate; sodium sulfate; 3-chloro-benzenecarboperoxoic acid; In water; at 20 - 25 ℃; for 7h; Reagent/catalyst;

upstream raw materials:

cyclohexyl chloride

1-phenyl-3-piperidino-propan-1-one; hydrochloride

Refernces

• 1、 -. "Preparation method of benzhexol hydrochloride". Paragraph 0018; 0019; 0083; 0084; 0085; 0086; 0087; 0088. . Retrieved 2016/11/28.