Agn-PC-0LP63Z

Base Information

• Chemical Name: Agn-PC-0LP63Z
• CAS No.: 7236-31-9
• Molecular Formula: C₁₆H₁₇NO₃
• Molecular Weight: 271.316
• DSSTox Substance ID: DTXSID60413374
• Wikidata: Q82221415

Synonyms:7236-31-9;AGN-PC-0LP63Z;DTXSID60413374

Chemical Property of Agn-PC-0LP63Z

Chemical Property:

• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 0
• Exact Mass: 398.984983
• Heavy Atom Count: 25
• Complexity: 453

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)O[As-]34(O2)(OC5=CC=CC=C5O3)OC6=CC=CC=C6O4

Technology Process of Agn-PC-0LP63Z

There total 5 articles about Agn-PC-0LP63Z 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:

3a-benzo[1,3]dioxol-5-yl-2,3,3a,5,6,7-hexahydro-indol-4-one (7236-32-0) → rac-crinan-1-one (7236-31-9,7236-35-3,98301-98-5)

Guidance literature:

Multi-step reaction with 2 steps

1: H₂ / PtO₂ / ethanol

2: (i) MeOH, (ii) aq. HCl

With hydrogen; platinum(IV) oxide; In ethanol;

DOI:10.1021/ja00990a045

Reference yield:

3-aziridin-1-yl-2-benzo[1,3]dioxol-5-yl-cyclohex-2-enone (7275-41-4) → rac-crinan-1-one (7236-31-9,7236-35-3,98301-98-5)

Guidance literature:

Multi-step reaction with 3 steps

1: NaI / bis-(2-methoxy-ethyl) ether

2: H₂ / PtO₂ / ethanol

3: (i) MeOH, (ii) aq. HCl

With hydrogen; sodium iodide; platinum(IV) oxide; In ethanol; diethylene glycol dimethyl ether;

DOI:10.1021/ja00990a045

Reference yield:

formaldehyd (50-00-0,30525-89-4,61233-19-0) + 4-oxo-3a-(3,4-(methylenedioxy)phenyl)-trans-octahydroindole (87014-61-7) → dl-4a-epi-1-Oxocrinan (7236-31-9,7236-35-3,98301-98-5)

Guidance literature:

Multistep reaction; (i) MeOH, (ii) aq. HCl;

DOI:10.1021/ja00990a045

upstream raw materials:

formaldehyd

4-oxo-3a-(3,4-(methylenedioxy)phenyl)-trans-octahydroindole

3a-(3,4-(methylenedioxy)phenyl)-4-oxo-cis-octahydroindole

3a-benzo[1,3]dioxol-5-yl-2,3,3a,5,6,7-hexahydro-indol-4-one

Downstream raw materials:

(+/-)-crinine

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