Psychotrine

Base Information

• Chemical Name: Psychotrine
• CAS No.: 7633-29-6
• Molecular Formula: C₂₈H₃₆N₂O₄
• Molecular Weight: 464.605
• UNII: 8S2PXP3P7C
• DSSTox Substance ID: DTXSID30997691
• Wikidata: Q27108115,Q104667332
• Metabolomics Workbench ID: 70673
• ChEMBL ID: CHEMBL463445
• Mol file: 7633-29-6.mol

Synonyms:psychotrine

Chemical Property of Psychotrine

Chemical Property:

• Melting Point: 122 °C
• Boiling Point: 649.2°Cat760mmHg
• PKA: 9.68±0.20(Predicted)
• Flash Point: 346.5°C
• PSA: 60.03000
• Density: 1.21g/cm³
• LogP: 4.59270
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 464.26750763
• Heavy Atom Count: 34
• Complexity: 717

Purity/Quality:

99%min ^*data from raw suppliers

PSYCHOTRINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1CN2CCC3=CC(=C(C=C3C2CC1CC4=NCCC5=CC(=C(C=C54)OC)O)OC)OC
• Isomeric SMILES: CC[C@H]1CN2CCC3=CC(=C(C=C3[C@@H]2C[C@@H]1CC4=NCCC5=CC(=C(C=C54)OC)O)OC)OC
• Description: One of the alkaloids from the bark of Cephaelis Ipecacuanha (Brot.) A. Rich, this base is best crystallized from aqueous solvents when it forms colourless prisms of the tetrahydrate which show a pale blue fluorescence. The alkaloid is sparingly soluble in H20, Et20 or C6H6 but dissolves freely in CHCI3, EtOH or Me2CO. The hydriodide forms microscopic yellow needles from dilute HI, m.p. 200-222°C; the nitrate has m.p. 184-7°C; the sulphate trillydrate forms pale yellow scales, m.p. 214-7°C; [α]D + 39.2° (H20); the acid oxalate, colourless needles which soften at 130°C and melt up to 14SoC, and the dibenzoyl derivative which is an amorphous powder, m.p. 132-SoC after sintering at 120°C. Three methoxyl groups, an ethyl group and a phenolic hydroxyl group are present. The methyl ether yields colourless prisms from Et20, m.p. 123-4°C;[α]D + 43.2° (EtOH) and furnishes a hydrobromide, m.p. 190-200°C; [α]D + 48° (H20); a sulphate heptahydrate, m.p. 247°C and a picrate, softening at 142°C and melting up to 175°C. The alkaloid gives a red-brown colour with FeCl3 turning to a bluish-black, while with sulphomolybdic acid it gives a green colour. It couples with p-nitrodiazobenzene giving an alkali-soluble purple dye.

Technology Process of Psychotrine

There total 1 articles about Psychotrine 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:

→ psychotrine (7633-29-6)

Guidance literature:

DOI:10.1021/ja00969a031