Guvacine hydrochloride

Base Information

• Chemical Name: Guvacine hydrochloride
• CAS No.: 6027-91-4
• Molecular Formula: C6H10ClNO2
• Molecular Weight: 163.604
• Hs Code.: 2933399090
• European Community (EC) Number: 637-422-5
• DSSTox Substance ID: DTXSID801017446
• Metabolomics Workbench ID: 71887
• ChEMBL ID: CHEMBL1256362
• Mol file: 6027-91-4.mol

Synonyms:guvacine;guvacine hydrobromide;guvacine hydrochloride

Chemical Property of Guvacine hydrochloride

Chemical Property:

• Melting Point: 316 °C (decomp)
• PSA: 49.33000
• LogP: 1.12150
• Storage Temp.: Inert atmosphere,Room Temperature
• Solubility.: H2O: soluble
• 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:

97% ^*data from raw suppliers

Guvacine hydrochloride ^*data from reagent suppliers

Safty Information:

• 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(=C1)C(=O)O.Cl
• Uses: Guvacine Hydrochloride is a GABA uptake inhibitor and it is used for the treatment of neurodegenerative diseases.

Technology Process of Guvacine hydrochloride

There total 1 articles about Guvacine 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:

→ guvacine (498-96-4) + 1,2,5,6-tetrahydro-3-pyridinecarboxylic acid hydrochloride (6027-91-4)

Guidance literature:

Reference yield: 97.0%

di-tert-butyl dicarbonate (24424-99-5) + 1,2,5,6-tetrahydro-3-pyridinecarboxylic acid hydrochloride (6027-91-4) → 1-tert-butoxycarbonyl-1,2,5,6-tetrahydropyridine-3-carboxylic acid (86447-11-2)

Guidance literature:

1,2,5,6-tetrahydro-3-pyridinecarboxylic acid hydrochloride; With triethylamine; In water; N,N-dimethyl-formamide; at 20 ℃; for 0.0833333h;

di-tert-butyl dicarbonate; In water; N,N-dimethyl-formamide; at 20 ℃; for 22h;

DOI:10.1021/acs.joc.7b03171

Reference yield: 77.0%

1,2,5,6-tetrahydro-3-pyridinecarboxylic acid hydrochloride (6027-91-4) + benzyl chloroformate (501-53-1,94274-21-2) → methyl 1-benzyloxycarbonyl-1,2,5,6-tetrahydropyridine-3-carboxylate (134575-42-1)

Guidance literature:

With triethylamine; In dichloromethane; ethyl acetate;

Downstream raw materials:

1-tert-butoxycarbonyl-1,2,5,6-tetrahydropyridine-3-carboxylic acid

C₂₈H₄₂N₄O₂

methyl 1-benzyloxycarbonyl-1,2,5,6-tetrahydropyridine-3-carboxylate

5-[3-(4-fluoro-phenyl)-[1,2,4]oxadiazol-5-yl]-1,2,3,6-tetrahydro-pyridine hydrochloride