Thesinine

Base Information

• Chemical Name: Thesinine
• CAS No.: 488-02-8
• Molecular Formula: C17H21NO3
• Molecular Weight: 287.3535
• UNII: XQX78QNQ57
• DSSTox Substance ID: DTXSID201031604
• Wikipedia: Thesinine
• Wikidata: Q16999592
• Mol file: 488-02-8.mol

Synonyms:THESININE;(-)-Thesinine;488-02-8;XQX78QNQ57;[(1R,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate;[(1R,7aR)-hexahydro-1H-pyrrolizin-1-yl]methyl (2E)-3-(4-hydroxyphenyl)prop-2-enoate;UNII-XQX78QNQ57;DTXSID201031604;Isoretronecanol, p-hydroxycinnamate;AKOS040734855;Q16999592;[(1R,7aR)-Hexahydro-1H-pyrrolizin-1-yl]methyl (2E)-3-(4-hydroxyphenyl)-2-propenoate;[(1R,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl(E)-3-(4-hydroxyphenyl)prop-2-enoate;2-Propenoic acid, 3-(4-hydroxyphenyl)-, (hexahydro-1H-pyrrolizin-1-yl)methyl ester, (1R-(1alpha(E),7abeta))-;2-Propenoic acid, 3-(4-hydroxyphenyl)-, [(1R,7aR)-hexahydro-1H-pyrrolizin-1-yl]methyl ester, (2E)-

Chemical Property of Thesinine

Chemical Property:

• Vapor Pressure: 2.09E-08mmHg at 25°C
• Melting Point: 38-40°C
• Boiling Point: 441.5°Cat760mmHg
• Flash Point: 220.8°C
• PSA: 49.77000
• Density: 1.22g/cm³
• LogP: 2.37080
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 287.15214353
• Heavy Atom Count: 21
• Complexity: 388

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC2C(CCN2C1)COC(=O)C=CC3=CC=C(C=C3)O
• Isomeric SMILES: C1C[C@@H]2[C@@H](CCN2C1)COC(=O)/C=C/C3=CC=C(C=C3)O
• Description: A pyrrolizidine alkaloid, this base occurs in Thesiurn rninkwizianurn and forms colourless crystals having a low melting point. The structure has been assigned on the basis of chemical analysis and spectroscopic evidence.

Technology Process of Thesinine

There total 1 articles about Thesinine 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:

thesinine-4'-O-β-D-glucoside → thesinine (488-02-8)

Guidance literature:

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

DOI:10.1016/S0031-9422(02)00069-9