Hygrine

Base Information

• Chemical Name: Hygrine
• CAS No.: 496-49-1
• Molecular Formula: C8H15 N O
• Molecular Weight: 141.213
• European Community (EC) Number: 207-822-0
• UNII: 49H1LNM62X
• DSSTox Substance ID: DTXSID40894081
• Nikkaji Number: J6.093C
• Wikipedia: Hygrine
• Wikidata: Q2376404
• Metabolomics Workbench ID: 52444
• Mol file: 496-49-1.mol

Synonyms:hygrine;hygrine, 2-(14)C-labeled, (+-)-isomer

Chemical Property of Hygrine

Chemical Property:

• Vapor Pressure: 0.452mmHg at 25°C
• Refractive Index: nD20 1.4555
• Boiling Point: 194°Cat760mmHg
• PKA: 9.85±0.40(Predicted)
• Flash Point: 59.2°C
• PSA: 20.31000
• Density: 0.935g/cm³
• LogP: 0.99760
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 141.115364102
• Heavy Atom Count: 10
• Complexity: 133

Purity/Quality:

99% ^*data from raw suppliers

Hygrine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)CC1CCCN1C
• Isomeric SMILES: CC(=O)C[C@H]1CCCN1C
• Uses: A pyrrolidine alkaloid derivative having antispasmodic activity. in Datura stramonium. A pyrrolidine alkaloid derivative having antispasmodic activity. Occurs in leaves of Erythroxylon coca Lam., and is the immediate precursor of Cuscohygrine in Scopolia lurida and also of Hyoscyamine in Datura stramonium.

Technology Process of Hygrine

There total 3 articles about Hygrine 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:

(+/-)-hygrine (45771-52-6) → (+)-hygrine (496-49-1)

Guidance literature:

With L-Tartaric acid;

DOI:10.1007/BF00902780

Reference yield:

1-methyl-pyrrolidin-2-one (872-50-4,26138-58-9) → (+)-hygrine (496-49-1)

Guidance literature:

Multi-step reaction with 2 steps

1: lithium alanate; diethyl ether; water / Erwaermen der mit Saeure versetzten Loesung unter vermindertem Druck

2: L_g-tartaric acid

With lithium aluminium tetrahydride; diethyl ether; L-Tartaric acid; water;

DOI:10.1007/BF00902780

Reference yield:

C8H17NO (1039714-94-7) → (+)-hygrine (496-49-1)

Guidance literature:

DOI:10.1016/j.tetlet.2008.04.098

upstream raw materials:

(+/-)-hygrine

1-methyl-pyrrolidin-2-one

C₈H₁₇NO

Refernces