4-Diethylamino-2-butynyl phenyl(cyclohexyl)glycolate hydrochloride

Base Information

• Chemical Name: 4-Diethylamino-2-butynyl phenyl(cyclohexyl)glycolate hydrochloride
• CAS No.: 1508-65-2
• Molecular Formula: C22H31NO3. ClH
• Molecular Weight: 393.954
• Hs Code.: 29221990
• Mol file: 1508-65-2.mol

Synonyms:CHEBI:7857;4-(diethylamino)but-2-yn-1-yl cyclohexyl(hydroxy)phenylacetate hydrochloride;AKOS026750014

Chemical Property of 4-Diethylamino-2-butynyl phenyl(cyclohexyl)glycolate hydrochloride

Chemical Property:

• Appearance/Colour: white to off-white solid
• Vapor Pressure: 1.37E-10mmHg at 25°C
• Melting Point: 122-124 ºC
• Boiling Point: 494.4 ºC at 760 mmHg
• Flash Point: 252.8 ºC
• PSA: 49.77000
• LogP: 4.14490
• Storage Temp.: Room temp
• Solubility.: H2O: soluble50mg/mL
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 8
• Exact Mass: 393.2070716
• Heavy Atom Count: 27
• Complexity: 490

Purity/Quality:

99% ^*data from raw suppliers

Oxybutynin Chloride ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: [H+].CCN(CC)CC#CCOC(=O)C(C1CCCCC1)(C2=CC=CC=C2)O.[Cl-]
• Uses: An inhibitor of proliferation and supresses gene expression in bladder smooth muscle cells anticholinergic An antagonist of M1, M2, & M3 muscarinic acetylcholine receptors
• Therapeutic Function: Spasmolytic
• Clinical Use: Urinary frequency, urgency and incontinence Neurogenic bladder instability and nocturnal enuresis
• Drug interactions: Potentially hazardous interactions with other drugs Anti-arrhythmics: increased risk of antimuscarinic side effects with disopyramide. Other antimuscarinic agents: increased antimuscarinic effects.

Technology Process of 4-Diethylamino-2-butynyl phenyl(cyclohexyl)glycolate hydrochloride

There total 6 articles about 4-Diethylamino-2-butynyl phenyl(cyclohexyl)glycolate hydrochloride 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: 95.0%

Oxybutynin chloride (1508-65-2,1207344-05-5) → oxybutynin (5633-20-5,119579-36-1,119618-21-2,119618-22-3,1508-65-2)

Guidance literature:

With sodium hydroxide; In water; at 30 ℃; for 4h;

Reference yield:

4-diethylamino-2-butyn-1-ol (10575-25-4) + cyclohexylmandelic acid (4335-77-7,20585-34-6,20585-39-1,50896-04-3) → oxybutynin (5633-20-5,119579-36-1,119618-21-2,119618-22-3,1508-65-2)

Guidance literature:

4-diethylamino-2-butyn-1-ol; cyclohexylmandelic acid; With 4-methyl-morpholine; benzotriazol-1-ol; In dichloromethane; at 0 ℃; for 1h;

With 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In dichloromethane; at 0 - 20 ℃; for 16h;

Reference yield:

acetic acid-(4-diethylamino-but-2-ynyl ester) (22396-77-6) + methyl 2-cyclohexyl-2-hydroxy-2-phenylacetate (10399-13-0) → oxybutynin (5633-20-5,119579-36-1,119618-21-2,119618-22-3,1508-65-2)

Guidance literature:

With sodium methylate; In n-heptane; at 65 - 100 ℃; Inert atmosphere;

upstream raw materials:

4-diethylamino-2-butyn-1-ol

cyclohexylmandelic acid

acetic acid-(4-diethylamino-but-2-ynyl ester)

methyl 2-cyclohexyl-2-hydroxy-2-phenylacetate

Downstream raw materials:

4-(diethylmethylaminium)-2-butynyl alpha phenyl cyclohexane glycolate iodide

Oxybutynin chloride

oxybutynin

4-(ethylamino)-2-butynyl α-cyclohexyl-α-hydroxybenzeneacetate

Refernces

• 1、 -. "SUBSTITUTED PHENYLCYCLOHEXYLGLYCOLATES". Page/Page column 53-54. . Retrieved 2009/10/06.
• 2、 -. "BIOSYNCHRONOUS TRANSDERMAL DRUG DELIVERY". . . Retrieved 2008/06/13.