Arecaidine hydrochloride

Base Information

• Chemical Name: Arecaidine hydrochloride
• CAS No.: 6018-28-6
• Molecular Formula: C₇H₁₁NO₂*ClH
• Molecular Weight: 177.631
• Hs Code.: 2933399090
• European Community (EC) Number: 676-643-1
• UNII: TTP6QLQ4M8
• Wikidata: Q27290345
• Mol file: 6018-28-6.mol

Synonyms:Arecaidine hydrochloride;6018-28-6;1-Methyl-1,2,5,6-tetrahydropyridine-3-carboxylic acid hydrochloride;Arecaidine (hydrochloride);3-Pyridinecarboxylic acid, 1,2,5,6-tetrahydro-1-methyl-, hydrochloride;1-METHYL-1,2,5,6-TETRAHYDROPYRIDINE-3-CARBOXYLIC ACID HCL;TTP6QLQ4M8;1-methyl-3,6-dihydro-2H-pyridine-5-carboxylic acid;hydrochloride;Arecaidinhydrochlorid;SCHEMBL2197726;HY-N2368A;MFCD00051993;AKOS015893941;SB52388;AC-34032;TS-02473;CS-0119431;FT-0622469;O10419;Q27290345;3-PYRIDINECARBOXYLIC ACID, 1,2,5,6-TETRAHYDRO-1-METHYL-, HYDROCHLORIDE (1:1)

Chemical Property of Arecaidine hydrochloride

Chemical Property:

• Vapor Pressure: 0.00245mmHg at 25°C
• Melting Point: 260°C
• Boiling Point: 266.7°C at 760 mmHg
• Flash Point: 115.1°C
• PSA: 40.54000
• LogP: 1.07280
• Storage Temp.: −20°C
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 177.0556563
• Heavy Atom Count: 11
• Complexity: 174

Purity/Quality:

≥98% ^*data from raw suppliers

ArecaidineHydrochloride ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CN1CCC=C(C1)C(=O)O.Cl
• Uses: Arecaidine Hydrochloride is a reactant used for the synthesis of dienone Elaeocarpus alkaloids.

Technology Process of Arecaidine hydrochloride

There total 2 articles about Arecaidine 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: 67.6%

Arecoline hydrochloride (61-94-9) → 1-methyl-1,2,5,6-tetrahydronicotinic acid hydrochloride (6018-28-6)

Guidance literature:

With hydrogenchloride; In ethanol; for 10h; Heating;

DOI:10.1021/jm00182a011

Reference yield:

arecoline hydrobromide (300-08-3) → 1-methyl-1,2,5,6-tetrahydronicotinic acid hydrochloride (6018-28-6)

Guidance literature:

With hydrogenchloride; In water; at 50 ℃;

Reference yield:

1-methyl-1,2,5,6-tetrahydronicotinic acid hydrochloride (6018-28-6) + 4-(4-fluorobenzyl)piperidine (92822-02-1) → [4-(4-Fluorobenzyl)piperidin-1-yl]-(1-methyl-1,2,5,6-tetrahydropyridin-3-yl)-Methanone Hydrochloride (354564-46-8)

Guidance literature:

upstream raw materials:

Arecoline hydrochloride

arecoline hydrobromide

Downstream raw materials:

[4-(4-Fluorobenzyl)piperidin-1-yl]-(1-methyl-1,2,5,6-tetrahydropyridin-3-yl)-Methanone Hydrochloride