Turicine

Base Information

• Chemical Name: Turicine
• CAS No.: 515-24-2
• Molecular Formula: C7H13 N O3
• Molecular Weight: 159.18302
• UNII: 2Z3FY9NSMR
• DSSTox Substance ID: DTXSID901155403
• Wikidata: Q27158627
• Metabolomics Workbench ID: 43821
• Mol file: 515-24-2.mol

Synonyms:Combretin A

Chemical Property of Turicine

Chemical Property:

• Melting Point: 259-260°
• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 60.36000
• Density: g/cm³
• LogP: -2.09530
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 159.08954328
• Heavy Atom Count: 11
• Complexity: 173

Purity/Quality:

98%min ^*data from raw suppliers

Stachydrine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C[N+]1(CC(CC1C(=O)[O-])O)C
• Isomeric SMILES: C[N+]1(C[C@@H](C[C@@H]1C(=O)[O-])O)C
• Description: This base occurs in the fruit of Capparis torrnentosa, Citrus grandis and in Stachys tubi/era Naudin. It normally crystallizes as the monohydrate which has m.p. 116-8°C. The specific rotation is [α]>D- 40.25° (c 4.0, H20). It is soluble in EtOH and H20, insoluble in CHC13 and Et20. The free base is unstable in air and decomposes quite rapidly. The hydrochloride yields colourless crystals from EtOH with m.p. 222°C; [α]20D - 28.1° (c 4.83, H20); aurichloride, m.p. 232°C; platinichloride, decomposing at 200°C; oxalate, colourless needles, m.p. 105- 7°C and the picrate, m.p. 199-2000 C. The structure is that of the methylbetaine of hygric acid.

Technology Process of Turicine

There total 2 articles about Turicine 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:

4-hydroxyproline (51-35-4,913000-57-4,30724-02-8) + methyl iodide (74-88-4) → 4-hydroxyproline betaine (515-24-2,515-25-3,32213-39-1,105869-44-1)

Guidance literature:

4-hydroxyproline; methyl iodide; In methanol; at 20 ℃; for 16h; Darkness; Alkaline aq. solution;

With hydrogenchloride; In methanol; water;

DOI:10.1002/jms.2029

Reference yield:

Damituricin → (+)-cis-N,N'-dimethyl-4-hydroxy-D-proline (515-24-2) + 4-bromo-1H-pyrrole-2-carboxylic acid (27746-02-7)

Guidance literature:

With hydrogenchloride; In methanol; at 80 ℃;

DOI:10.1016/j.bmc.2007.05.074

upstream raw materials:

4-hydroxyproline

methyl iodide