Tiliacorin

Base Information

• Chemical Name: Tiliacorin
• CAS No.: 27073-72-9
• Molecular Formula: C₃₆H₃₆N₂O₅
• Molecular Weight: 576.692
• UNII: T0L4JHE77A
• Metabolomics Workbench ID: 126173
• Mol file: 27073-72-9.mol

Synonyms:Tiliacorin;Tiliacorine;Tiliacorine [MI];(1R,1'S)-Tiliacorin;UNII-T0L4JHE77A;T0L4JHE77A;27073-72-9;2H,16H-22,26-Epoxy-1,24-etheno-6,10:11,15-dimethenopyrido(2',3':17,18)oxacycloeicosino(2,3,4-ij)isoquinolin-9-ol, 3,4,4a,5,16a,17,18,19-octahydro-12,21-dimethoxy-4,17-dimethyl-, (4aS,16aR)-;Rodiasine, 6',7-didemethoxy-6',7-epoxy-, (1alpha,1'alpha)-;(41S,412R)-26,46-dimethoxy-42,411-dimethyl-41,42,43,44,49,410,411,412-octahydro-4(1,12)-[1,4]dioxino[2,3-g:6,5-h']diisoquinolina-1,2(1,3)-dibenzenacyclopentaphan-16-ol;SCHEMBL21807734;Rodiasine, 6',7-didemethoxy-6',7-epoxy-, (1.alpha.,1'.alpha.)-;(8R,21S)-16,27-dimethoxy-7,22-dimethyl-29,31-dioxa-7,22-diazaoctacyclo[19.9.3.14,30.110,14.115,19.03,8.025,33.028,32]hexatriaconta-1(30),2,4(34),10(36),11,13,15,17,19(35),25,27,32-dodecaen-13-ol

Chemical Property of Tiliacorin

Chemical Property:

• Boiling Point: 710.4°Cat760mmHg
• Flash Point: 383.4°C
• Density: 1.26g/cm³
• XLogP3: 6.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 2
• Exact Mass: 576.26242225
• Heavy Atom Count: 43
• Complexity: 983

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1CCC2=CC3=C4C=C2C1CC5=CC(=C(C=C5)O)C6=C(C=CC(=C6)CC7C8=C(O4)C(=C(C=C8CCN7C)OC)O3)OC
• Isomeric SMILES: CN1CCC2=CC3=C4C=C2[C@H]1CC5=CC(=C(C=C5)O)C6=C(C=CC(=C6)C[C@H]7C8=C(O4)C(=C(C=C8CCN7C)OC)O3)OC

Technology Process of Tiliacorin

There total 5 articles about Tiliacorin 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: 80.6%

tiliacorinine 2'-N-oxide (80161-67-7) → N,N-dimethylpachyovatamine (27073-72-9,27073-73-0)

Guidance literature:

With phosphorus trichloride; In methanol; chloroform; for 15h; Heating;

Reference yield: 54.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + rortiliacorinine (26426-60-8,26777-94-6,27577-49-7) → N,N-dimethylpachyovatamine (27073-72-9,27073-73-0)

Guidance literature:

With sodium tetrahydroborate; In methanol; water; for 1h; Ambient temperature;

DOI:10.1002/ardp.19863190207

Reference yield:

formaldehyd (50-00-0,30525-89-4,61233-19-0) + pachyovatamine → N,N-dimethylpachyovatamine (27073-72-9,27073-73-0)

Guidance literature:

With formic acid; In methanol; for 24h; Heating;

DOI:10.1016/S0031-9422(00)80772-4

upstream raw materials:

formaldehyd

tiliacorinine 2'-N-oxide

rortiliacorinine

acetaldehyde

Downstream raw materials:

dimethyl 4-methoxyisophthalate

Refernces

• 1、 Pachaly,Tan,Khosravian,Klein. "Alkaloids from Tiliacora triandra Diels (Menispermaceae), I: The structure of the new bisbenzylisoquinoline alakaloid Yanangcorinine". . p. 126 - 133. Retrieved 1986.
• 2、 Bhakuni, Dewan S,Singh, Awadhesh,Jain, Sudha. "THE STRUCTURE, ABSOLUTE CONFIGURATION AND BIOSYNTHESIS OF NORTILIACORININE A". . p. 2651 - 2655. Retrieved 2007/10/02.