(-)-Scopolamine hydrochloride

Base Information

• Chemical Name: (-)-Scopolamine hydrochloride
• CAS No.: 55-16-3
• Molecular Formula: C17H21NO4^.HCl
• Molecular Weight: 339.819
• European Community (EC) Number: 200-225-6
• Mol file: 55-16-3.mol

Synonyms:(-)-Scopolamine hydrochloride;55-16-3;AKOS015903104

Chemical Property of (-)-Scopolamine hydrochloride

Chemical Property:

• Appearance/Colour: white powder
• Vapor Pressure: 2.87E-09mmHg at 25°C
• Melting Point: 200°
• Boiling Point: 460.3 °C at 760 mmHg
• Flash Point: 232.2 °C
• PSA: 62.30000
• LogP: 1.65800
• Storage Temp.: ?20°C
• Solubility.: H2O: 50 mg/mL
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 339.1237359
• Heavy Atom Count: 23
• Complexity: 418

Purity/Quality:

99%, ^*data from raw suppliers

(?)-Scopolamine hydrochloride analyticalstandard ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T+
• Hazard Codes: T+
• Statements: 26/27/28
• Safety Statements: 25-45-36/37-28

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CN1C2CC(CC1C3C2O3)OC(=O)C(CO)C4=CC=CC=C4.Cl
• Isomeric SMILES: CN1[C@@H]2CC(C[C@H]1[C@@H]3[C@@H]2O3)OC(=O)[C@H](CO)C4=CC=CC=C4.Cl
• Uses: Antiemetic;Non-selective muscarinic antagonist

Technology Process of (-)-Scopolamine hydrochloride

There total 3 articles about (-)-Scopolamine 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:

(2S,3S)-<1-14C,3-3H>phenylalanine → C16(14)CH22(3)HNO3*ClH + <1-14C,3-3H>hyoscyamine hydrochloride + <1-14C,3-3H>scopolamine hydrochloride + C16(14)CH20(3)HNO4*ClH + (-)-Atropine hydrochloride (5934-50-9) + (-)-Scopolamine hydrochloride (55-16-3)

Guidance literature:

Mechanism; Product distribution; Datura innoxia plants; (feeding experiments to study the stereochemistry of the migration of the carboxyl group);

Reference yield:

(2S,3S)-<1-14C,3-3H>phenylalanine → <1-14C,3-3H>hyoscyamine hydrochloride + <1-14C,3-3H>scopolamine hydrochloride + atropine hydrochloride (33952-38-4,58116-45-3,58116-46-4) + (-)-scopolamine hydrochloride (55-16-3)

Guidance literature:

With hydrogenchloride; sodium hydroxide; Mechanism; Product distribution; multistep reaction; 1.) Datura innoxia plants; (feeding experiments), 2.) 25 deg C, 2 h; (the stereochemistry of the migration of the carboxyl group was investigated during the biosynthesis of tropic acid);

Reference yield:

(2S,3R)-<1-14C,3-3H>phenylalanine → atropine hydrochloride (33952-38-4,58116-45-3,58116-46-4) + (-)-scopolamine hydrochloride (55-16-3) + <1-14C>atropine hydrochloride + C16(14)CH21NO4*ClH

Guidance literature:

With hydrogenchloride; sodium hydroxide; Mechanism; Product distribution; multistep reaction; 1.) Datura innoxia plants; (feeding experiments), 2.) 25 deg C, 2 h; (the stereochemistry of the migration of the carboxyl group was investigated during the biosynthesis of tropic acid);

Downstream raw materials:

(S)-tropic acid

Refernces

C-F activation reactions of (pentafluorophenyl)cyclopentadiene and 3-(pentafluorophenyl)indene with tetrakis(dimethylamido)titanium(IV)

10.1021/om034385g

The study investigates the reactions of 3-(pentafluorophenyl)indene and (pentafluorophenyl)cyclopentadiene with tetrakis(dimethylamido)titanium(IV), resulting in the formation of products where one or both ortho fluorines of the C6F5 group are replaced by dimethylamino groups. This suggests a titanium-mediated, intramolecular nucleophilic aromatic substitution mechanism. The research led to the isolation of organic products and the conversion of substituted cyclopentadiene to a ferrocene derivative. The study provides insights into the selective activation of polyfluorinated organic compounds, a significant challenge in synthetic chemistry, and contributes to the understanding of transition metal complex mechanisms for C-F activation.

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