Hypoestestatin 2

Base Information

• Chemical Name: Hypoestestatin 2
• CAS No.: 97415-40-2
• Molecular Formula: C₂₃H₂₅NO₄
• Molecular Weight: 379.456
• DSSTox Substance ID: DTXSID70913931
• Wikidata: Q82884663
• ChEMBL ID: CHEMBL519516
• Mol file: 97415-40-2.mol

Synonyms:hypoestestatin 2

Chemical Property of Hypoestestatin 2

Chemical Property:

• Vapor Pressure: 1.08E-14mmHg at 25°C
• Boiling Point: 588.5°Cat760mmHg
• Flash Point: 309.7°C
• Density: 1.31g/cm³
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 379.17835828
• Heavy Atom Count: 28
• Complexity: 559

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC1=CC2=C(C=C1)C3=C(C(C4CCCN4C3)O)C5=CC(=C(C=C52)OC)OC
• Isomeric SMILES: COC1=CC2=C(C=C1)C3=C([C@H]([C@@H]4CCCN4C3)O)C5=CC(=C(C=C52)OC)OC

Technology Process of Hypoestestatin 2

There total 5 articles about Hypoestestatin 2 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: 72.0%

2,3,6-Trimethoxy-14-oxo-9,11,12,13,13a,14-hexahydro-dibenzo-pyrrolo<1,2-b>isochinolin (30061-23-5) → (+/-)-14-Hydroxy-2,3,6-trimethoxy-9,11,12,13,13a,14-hexahydro-dibenzo-pyrrolo<1,2-b>isochinolin (1034896-68-8,97415-40-2)

Guidance literature:

With sodium tetrahydroborate; In tetrahydrofuran; 1,4-dioxane; methanol; for 2h; Heating;

DOI:10.1002/ardp.19813140310

Reference yield: 58.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + C28H35NO5 → (+)-14-hydroxyantofine (1215841-85-2,97415-40-2)

Guidance literature:

C₂₈H₃₅NO₅; With hydrogenchloride; In ethanol; for 1h; Reflux;

formaldehyd; In ethanol; for 56h; Inert atmosphere; Reflux;

DOI:10.1039/c3ra47465h

Reference yield:

C23H23NO4 → (+)-14-hydroxyantofine (1215841-85-2,97415-40-2)

Guidance literature:

With sodium tetrahydroborate; In tetrahydrofuran; methanol; hexane; at -40 - 20 ℃; for 9h; stereoselective reaction; Inert atmosphere;

DOI:10.1002/ejoc.200900920

upstream raw materials:

2,3,6-Trimethoxy-14-oxo-9,11,12,13,13a,14-hexahydro-dibenzo-pyrrolo<1,2-b>isochinolin

N-(2,3,6-Trimethoxy-9-phenanthrylmethyl)-L-prolin-hydrochlorid

C₂₃H₂₃NO₄

formaldehyd

Refernces

• 1、 Wang, Ziwen,Li, Zheng,Wang, Kailiang,Wang, Qingmin. "Efficient and chirally specific synthesis of phenanthro-indolizidine alkaloids by parham-type cycloacylation". experimental part. p. 292 - 299. Retrieved 2010/03/30.