1,2,3,6-Tetrahydro-4-pyridinecarboxylic acid hydrochloride

Base Information

• Chemical Name: 1,2,3,6-Tetrahydro-4-pyridinecarboxylic acid hydrochloride
• CAS No.: 68547-97-7
• Molecular Formula: C6H9NO2
• Molecular Weight: 163.604
• European Community (EC) Number: 621-709-7,806-955-7
• DSSTox Substance ID: DTXSID00218663
• Metabolomics Workbench ID: 142402
• ChEMBL ID: CHEMBL540303
• Mol file: 68547-97-7.mol

Synonyms:isoguvacine;isoguvacine hydrobromide;isoguvacine hydrochloride

Chemical Property of 1,2,3,6-Tetrahydro-4-pyridinecarboxylic acid hydrochloride

Chemical Property:

• Melting Point: 280 °C(dec.)
• PSA: 49.33000
• LogP: 1.12150
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Solubility.: H2O: soluble (refrigerate if not used immediately.)
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 163.0400063
• Heavy Atom Count: 10
• Complexity: 151

Purity/Quality:

99%, ^*data from raw suppliers

Isoguvacine hydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1CNCC=C1C(=O)O.Cl

Technology Process of 1,2,3,6-Tetrahydro-4-pyridinecarboxylic acid hydrochloride

There total 13 articles about 1,2,3,6-Tetrahydro-4-pyridinecarboxylic acid 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: 97.0%

di-tert-butyl 5,6-dihydropyridine-1,4(2H)-dicarboxylate (1293370-62-3) → Isoguvacine hydrochloride (68547-97-7)

Guidance literature:

With hydrogenchloride; water; In 1,4-dioxane;

DOI:10.1021/ol200744s

Reference yield: 50.0%

1-benzyl-1,2,3,6-tetrahydro-pyridine-4-carboxylic acid (79858-48-3) → Isoguvacine hydrochloride (68547-97-7)

Guidance literature:

1-benzyl-1,2,3,6-tetrahydro-pyridine-4-carboxylic acid; With boron tribromide; In dichloromethane; at -78 - -40 ℃; for 0.666667h;

With hydrogenchloride; In water; for 1h; Heating;

Reference yield:

1,2,3,6-Tetrahydro-pyridine-4-carboxylic acid acetoxymethyl ester; compound with (E)-but-2-enedioic acid (76309-83-6) → formaldehyd (50-00-0,30525-89-4,61233-19-0) + Isoguvacine hydrochloride (68547-97-7)

Guidance literature:

With potassium chloride; at 37 ℃; other esters of isoguvacine; also in human serum solution and extract of rat brain; pH 7.35; rate of hydrolysis;

DOI:10.1021/jm00135a009

upstream raw materials:

1,2,3,6-Tetrahydro-pyridine-4-carboxylic acid acetoxymethyl ester; compound with (E)-but-2-enedioic acid

1-benzyl-1,2,3,6-tetrahydro-pyridine-4-carboxylic acid

1-benzyl-1,2,3,6-tetrahydropyridine-4-carbaldehyde

1,2,3,6-tetrahydro-1-(phenylmethyl)-4-pyridinemethanol

Downstream raw materials:

methyl 1,2,3,6-tetrahydropyridine-4-carboxylate hydrochloride

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