Isomitraphylline

Base Information

• Chemical Name: Isomitraphylline
• CAS No.: 4963-01-3
• Molecular Formula: C21H24N2O4
• Molecular Weight: 368.433
• European Community (EC) Number: 683-128-5
• UNII: XKC69MV51V
• Nikkaji Number: J15.945J
• Wikidata: Q27293881
• Mol file: 4963-01-3.mol

Synonyms:isomitraphylline

Chemical Property of Isomitraphylline

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 555.185°C at 760 mmHg
• PKA: 13.56±0.60(Predicted)
• Flash Point: 289.566°C
• PSA: 67.87000
• Density: 1.335g/cm³
• LogP: 2.13840
• Storage Temp.: -20°C
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 368.17360725
• Heavy Atom Count: 27
• Complexity: 692

Purity/Quality:

99% ^*data from raw suppliers

Isomitraphylline ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C2CN3CCC4(C3CC2C(=CO1)C(=O)OC)C5=CC=CC=C5NC4=O
• Isomeric SMILES: C[C@H]1[C@H]2CN3CC[C@@]4([C@@H]3C[C@@H]2C(=CO1)C(=O)OC)C5=CC=CC=C5NC4=O
• Description: This Mitragyna alkaloid has been isolated from the leaves of M. speciosa Korth by Beckett and his colleagues. It is an amorphous solid which cannot be obtained crystalline. The base may be characterized as the picrate which forms pale yellow needles from MeOH, m.p. 223°C (dec.). A methylgroup, a methoxycarbonyl group and one imino group are present. The second nitrogen atom is tertiary.

Technology Process of Isomitraphylline

There total 10 articles about Isomitraphylline 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:

→ Mitraphyllin (509-80-8,4697-68-1,4963-01-3,5171-37-9,5629-60-7,6883-35-8,6899-73-6,14019-66-0,17507-91-4,17507-92-5,17507-93-6,17507-94-7,19775-85-0,19775-86-1,24196-09-6,24196-10-9,36001-48-6,52689-99-3,52690-00-3,131725-45-6,131725-46-7,134001-70-0)

Guidance literature:

/BRN= 631614/ = C22H26N2O4 (Hydrolyse).;

DOI:10.1021/ja00866a062

Reference yield:

→ Isomitraphyllin (509-80-8,4697-68-1,4963-01-3,5171-37-9,5629-60-7,6883-35-8,6899-73-6,14019-66-0,17507-91-4,17507-92-5,17507-93-6,17507-94-7,19775-85-0,19775-86-1,24196-09-6,24196-10-9,36001-48-6,52689-99-3,52690-00-3,131725-45-6,131725-46-7,134001-70-0)

Guidance literature:

Mitraphyllin + Py. (Erhitzen, 20 h).;

DOI:10.1021/jo01344a023

Reference yield:

→ Pteropodin (509-80-8,4697-68-1,4963-01-3,5171-37-9,5629-60-7,6883-35-8,6899-73-6,14019-66-0,17507-91-4,17507-92-5,17507-93-6,17507-94-7,19775-85-0,19775-86-1,24196-09-6,24196-10-9,36001-48-6,52689-99-3,52690-00-3,131725-45-6,131725-46-7,134001-70-0)

Guidance literature:

Indolin von Acetoxytetrahydroalstonin,HAc;

DOI:10.1016/S0031-9422(00)85816-1

upstream raw materials:

ajmalicine

mitraphylline

Downstream raw materials:

mitraphylline

Refernces

• 1、 Laus, Gerhard,Broessner, Dagmar,Senn, Gilbert,Wurst, Klaus. "Analysis of the kinetics of isomerization of spiro oxindole alkaloids". . p. 1931 - 1936. Retrieved 2007/10/03.
• 2、 Zinnes,Shavel Jr.. "Yohimbane derivatives. 3. The oxidative rearrangement of indole alkaloids to their spirooxindole analogs.". . p. 1765 - 1771. Retrieved 2007/11/06.