Tropine hydrate

Base Information

• Chemical Name: Tropine hydrate
• CAS No.: 120-29-6
• Deprecated CAS: 1195569-72-2,28390-68-3
• Molecular Formula: C8H15NO
• Molecular Weight: 141.213
• Hs Code.: 29399990
• European Community (EC) Number: 204-384-2
• Wikipedia: Tropine
• Mol file: 120-29-6.mol

Synonyms:tropine hydrate;120-29-6;SCHEMBL228981;AKOS024386415;AS-35313;345957-20-2

Chemical Property of Tropine hydrate

Chemical Property:

• Appearance/Colour: white to slightly yellow crystalline powder
• Vapor Pressure: 0.0106mmHg at 25°C
• Melting Point: 64 °C
• Refractive Index: 1.525
• Boiling Point: 232.999 °C at 760 mmHg
• PKA: 3.80(at 15℃)
• Flash Point: 112.5 °C
• PSA: 23.47000
• Density: 1.078 g/cm³
• LogP: 0.54180
• Storage Temp.: 2-8°C
• Sensitive.: Hygroscopic
• Solubility.: H2O: 0.1 g/mL, clear
• Water Solubility.: 100 g/L (20 ºC)
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 159.125928785
• Heavy Atom Count: 11
• Complexity: 123

Purity/Quality:

99% ^*data from raw suppliers

Tropine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi,Xn
• Hazard Codes: Xi,Xn
• Statements: 26/28-20/22
• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C2CCC1CC(C2)O.O
• Isomeric SMILES: CN1[C@@H]2CC[C@H]1CC(C2)O.O
• Uses: Tropine is an oxidative product of Tropane, used to synthesize alkaloid derivatives. Tropine as an oxidative product of Tropane, used to synthesize alkaloid derivatives. Benzatropine and etybenzatropine are derivatives of tropine. It is also a building block of atropine, an anticholinergic drug prototypical of the muscarinic antagonist class.

Technology Process of Tropine hydrate

There total 62 articles about Tropine 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: 84.0%

tropine-N-oxide hydrochloride (1234788-77-2) → nortropine (538-09-0) + 3-tropanol (120-29-6)

Guidance literature:

iron; In isopropyl alcohol; at 60 ℃; for 2h; Product distribution / selectivity;

Reference yield: 40.0%

(1R,3R,5S)-3-Hydroxy-8-isopropyl-8-methyl-8-azonia-bicyclo[3.2.1]octane; iodide (93713-44-1) → endo-8-(1-methylethyl)-8-azabicyclo<3.2.1>octan-3-ol (3423-25-4) + 3-tropanol (120-29-6)

Guidance literature:

With sodium thiophenolate; In acetonitrile; butanone; Heating;

Reference yield:

homatropine hydrobromide (51-56-9) → MANDELIC ACID (611-71-2,611-72-3,17199-29-0,90-64-2) + 3-tropanol (120-29-6)

Guidance literature:

at 20 - 47 ℃; Kinetics; in wss.Loesungen vom pH 7 bis pH 12.5.Hydrolysis;

upstream raw materials:

3-(2′-phenylpropionyloxy)tropane

tropinone

sodium acetate

bromotropinol

Downstream raw materials:

3-phenylacetoxytropane

N-phenyl-glycine-tropane-3endo-yl ester

4'-bromo-3α-(diphenylmethoxy)tropane

Tropacine