1H-Indeno(1,2-b)pyridine, 2,3,4,4a,5,9b-hexahydro-5-(4-methoxyphenyl)-1-methyl-, (4a-alpha,5-alpha,9b-alpha)-

Base Information

• Chemical Name: 1H-Indeno(1,2-b)pyridine, 2,3,4,4a,5,9b-hexahydro-5-(4-methoxyphenyl)-1-methyl-, (4a-alpha,5-alpha,9b-alpha)-
• CAS No.: 81202-81-5
• Molecular Formula: C20H23 N O
• Molecular Weight: 293.4027
• DSSTox Substance ID: DTXSID20230943
• Wikidata: Q76156444

Synonyms:BRN 4700057;1H-Indeno(1,2-b)pyridine, 2,3,4,4a,5,9b-hexahydro-5-(4-methoxyphenyl)-1-methyl-, (4a-alpha,5-alpha,9b-alpha)-;81202-81-5;DTXSID20230943;LS-81925

Chemical Property of 1H-Indeno(1,2-b)pyridine, 2,3,4,4a,5,9b-hexahydro-5-(4-methoxyphenyl)-1-methyl-, (4a-alpha,5-alpha,9b-alpha)-

Chemical Property:

• Vapor Pressure: 6.35E-07mmHg at 25°C
• Boiling Point: 409.7°Cat760mmHg
• Flash Point: 120.4°C
• Density: 1.087g/cm³
• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 293.177964357
• Heavy Atom Count: 22
• Complexity: 376

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1CCCC2C1C3=CC=CC=C3C2C4=CC=C(C=C4)OC
• Isomeric SMILES: CN1CCC[C@H]2[C@@H]1C3=CC=CC=C3[C@@H]2C4=CC=C(C=C4)OC

Technology Process of 1H-Indeno(1,2-b)pyridine, 2,3,4,4a,5,9b-hexahydro-5-(4-methoxyphenyl)-1-methyl-, (4a-alpha,5-alpha,9b-alpha)-

There total 1 articles about 1H-Indeno(1,2-b)pyridine, 2,3,4,4a,5,9b-hexahydro-5-(4-methoxyphenyl)-1-methyl-, (4a-alpha,5-alpha,9b-alpha)- 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: 81.0%

diazomethane (186581-53-3,908094-01-9,334-88-3) + 5-(4-Hydroxyphenyl)-H4a, H5-trans, H4a, H9b-cis-2,3,4,4a,5,9b-hexahydro-1H-indeno<1,2-b>pyridin → H4a, H5-trans, H4a, H9b-cis-5-(4-Methoxyphenyl)-2,3,4,4a,5,9b-hexahydro-1H-indeno<1,2-b>pyridin (81202-81-5)

Guidance literature:

In methanol; diethyl ether; chloroform; for 6h; Ambient temperature;

Reference yield: 76.0%

H4a, H5-trans, H4a, H9b-cis-5-(4-Methoxyphenyl)-2,3,4,4a,5,9b-hexahydro-1H-indeno<1,2-b>pyridin (81202-81-5) → 4-((4aS,5R,9bS)-1-Methyl-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridin-5-yl)-phenol (88763-66-0)

Guidance literature:

With 40percentigem Bromwasserstoff; In acetic acid; at 120 ℃; for 6h;

upstream raw materials:

diazomethane

Downstream raw materials:

4-((4aS,5R,9bS)-1-Methyl-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridin-5-yl)-phenol

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