2H-3,7-Methanoazacycloundecino(5,4-b)indole-9-carboxylic acid, 7-ethyl-1,4,5,6,7,8,9,10-octahydro-, methyl ester, (7S-(7R*,9S*))-

Base Information

• Chemical Name: 2H-3,7-Methanoazacycloundecino(5,4-b)indole-9-carboxylic acid, 7-ethyl-1,4,5,6,7,8,9,10-octahydro-, methyl ester, (7S-(7R*,9S*))-
• CAS No.: 2896-91-5
• Molecular Formula: C₂₁H₂₈N₂O₂
• Molecular Weight: 340.466
• DSSTox Substance ID: DTXSID80183168
• Nikkaji Number: J14.794J
• Wikidata: Q83053888
• Mol file: 2896-91-5.mol

Synonyms:2896-91-5;2H-3,7-Methanoazacycloundecino(5,4-b)indole-9-carboxylic acid, 7-ethyl-1,4,5,6,7,8,9,10-octahydro-, methyl ester, (7S-(7R*,9S*))-;Vincadine;(+)-Vincadine;DTXSID80183168;NS00094799

Chemical Property of 2H-3,7-Methanoazacycloundecino(5,4-b)indole-9-carboxylic acid, 7-ethyl-1,4,5,6,7,8,9,10-octahydro-, methyl ester, (7S-(7R*,9S*))-

Chemical Property:

• PSA: 45.33000
• LogP: 3.80080
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 340.215078140
• Heavy Atom Count: 25
• Complexity: 496

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC12CCCN(C1)CCC3=C(C(C2)C(=O)OC)NC4=CC=CC=C34
• Isomeric SMILES: CC[C@@]12CCCN(C1)CCC3=C([C@@H](C2)C(=O)OC)NC4=CC=CC=C34

Technology Process of 2H-3,7-Methanoazacycloundecino(5,4-b)indole-9-carboxylic acid, 7-ethyl-1,4,5,6,7,8,9,10-octahydro-, methyl ester, (7S-(7R*,9S*))-

There total 6 articles about 2H-3,7-Methanoazacycloundecino(5,4-b)indole-9-carboxylic acid, 7-ethyl-1,4,5,6,7,8,9,10-octahydro-, methyl ester, (7S-(7R*,9S*))- 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: 35.0%

(±)-vincadifformine (18374-17-9) → (+/-)-epivincadine (2896-91-5,19621-74-0,36132-39-5,41221-70-9,58072-80-3,67968-78-9)

Guidance literature:

With sodium tetrahydroborate; d⁽³⁾-acetic acid; at 90 ℃;

DOI:10.1002/jhet.5570370205

Reference yield:

C21H27N2O2(1+)*ClO4(1-) → (+/-)-epivincadine (2896-91-5,19621-74-0,36132-39-5,41221-70-9,58072-80-3,67968-78-9) + (+/-)-vincadine (2896-91-5,19621-74-0,36132-39-5,41221-70-9,58072-80-3,67968-78-9)

Guidance literature:

Yield given. Multistep reaction. Yields of byproduct given;

DOI:10.1016/S0040-4020(01)93276-4

Reference yield:

C21H27N2O2(1+)*ClO4(1-) → (+/-)-epivincadine (2896-91-5,19621-74-0,36132-39-5,41221-70-9,58072-80-3,67968-78-9) + (+/-)-vincadine (2896-91-5,19621-74-0,36132-39-5,41221-70-9,58072-80-3,67968-78-9)

Guidance literature:

Yield given. Multistep reaction. Yields of byproduct given;

DOI:10.1016/S0040-4020(01)93276-4

upstream raw materials:

(±)-vincadifformine

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