5H-(1)Benzopyrano(4,3-c)pyridine, 1,2,3,4-tetrahydro-5,5-dimethyl-8-(1,2-dimethylheptyl)-10-hydroxy-2-(2-propenyl)-, acetate (ester)

Base Information

• Chemical Name: 5H-(1)Benzopyrano(4,3-c)pyridine, 1,2,3,4-tetrahydro-5,5-dimethyl-8-(1,2-dimethylheptyl)-10-hydroxy-2-(2-propenyl)-, acetate (ester)
• CAS No.: 58019-92-4
• Molecular Formula: C₂₈H₄₁NO₃
• Molecular Weight: 439.638
• DSSTox Substance ID: DTXSID20973606
• Nikkaji Number: J87.899E
• Mol file: 58019-92-4.mol

Synonyms:BRN 1183007;58019-92-4;5H-(1)Benzopyrano(4,3-c)pyridine, 1,2,3,4-tetrahydro-5,5-dimethyl-8-(1,2-dimethylheptyl)-10-hydroxy-2-(2-propenyl)-, acetate (ester);C28H41NO3;DTXSID20973606;LS-39881;1,2,3,4-Tetrahydro-5,5-dimethyl-8-(1,2-dimethylheptyl)-10-acetyloxy-2-(2-propenyl)-5H-[1]benzopyrano[4,3-c]pyridine;2H-[1]Benzopyrano[4,3-c]pyridin-10-ol, 8-(1,2-dimethylheptyl)-1,3,4,5-tetrahydro-5,5-dimethyl-2-(2-propenyl)-, acetate (ester);5,5-Dimethyl-8-(3-methyloctan-2-yl)-2-(prop-2-en-1-yl)-1,3,4,5-tetrahydro-2H-[1]benzopyrano[4,3-c]pyridin-10-yl acetate

Chemical Property of 5H-(1)Benzopyrano(4,3-c)pyridine, 1,2,3,4-tetrahydro-5,5-dimethyl-8-(1,2-dimethylheptyl)-10-hydroxy-2-(2-propenyl)-, acetate (ester)

Chemical Property:

• Vapor Pressure: 2.73E-11mmHg at 25°C
• Boiling Point: 529.3°Cat760mmHg
• Flash Point: 273.9°C
• PSA: 38.77000
• Density: 1.05g/cm³
• LogP: 6.68600
• XLogP3: 6.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 10
• Exact Mass: 439.30864417
• Heavy Atom Count: 32
• Complexity: 697

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCC(C)C(C)C1=CC2=C(C3=C(CCN(C3)CC=C)C(O2)(C)C)C(=C1)OC(=O)C

Technology Process of 5H-(1)Benzopyrano(4,3-c)pyridine, 1,2,3,4-tetrahydro-5,5-dimethyl-8-(1,2-dimethylheptyl)-10-hydroxy-2-(2-propenyl)-, acetate (ester)

There total 3 articles about 5H-(1)Benzopyrano(4,3-c)pyridine, 1,2,3,4-tetrahydro-5,5-dimethyl-8-(1,2-dimethylheptyl)-10-hydroxy-2-(2-propenyl)-, acetate (ester) 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:

2-benzyl-5,5-dimethyl-8-(1,2-dimethylheptyl)-10-hydroxy-1,2,3,4-tetrahydro-5H-[1]benzopyrano[4,3-c]pyridine (26685-47-2) → 10-acetoxy-2-allyl-8-(1,2-dimethyl-heptyl)-5,5-dimethyl-1,3,4,5-tetrahydro-2H-chromeno[4,3-c]pyridine (58019-92-4)

Guidance literature:

Multi-step reaction with 3 steps

1: H₂ / Pd-C / ethanol; acetic acid / 2223.7 Torr

2: Na₂CO₃ / ethanol / Heating

3: (acetylation)

With hydrogen; sodium carbonate; palladium on activated charcoal; In ethanol; acetic acid;

DOI:10.1021/jm00226a001

Reference yield:

5,5-dimethyl-8-(1,2-dimethylheptyl)-10-hydroxy-1,2,3,4-tetrahydro-5H-[1]benzopyrano[4,3-c]pyridine (26685-53-0) → 10-acetoxy-2-allyl-8-(1,2-dimethyl-heptyl)-5,5-dimethyl-1,3,4,5-tetrahydro-2H-chromeno[4,3-c]pyridine (58019-92-4)

Guidance literature:

Multi-step reaction with 2 steps

1: Na₂CO₃ / ethanol / Heating

2: (acetylation)

With sodium carbonate; In ethanol;

DOI:10.1021/jm00226a001

Reference yield:

2-allyl-8-(1,2-dimethyl-heptyl)-5,5-dimethyl-1,3,4,5-tetrahydro-2H-chromeno[4,3-c]pyridin-10-ol (26685-55-2) → 10-acetoxy-2-allyl-8-(1,2-dimethyl-heptyl)-5,5-dimethyl-1,3,4,5-tetrahydro-2H-chromeno[4,3-c]pyridine (58019-92-4)

Guidance literature:

(acetylation);

DOI:10.1021/jm00226a001

upstream raw materials:

2-allyl-8-(1,2-dimethyl-heptyl)-5,5-dimethyl-1,3,4,5-tetrahydro-2H-chromeno[4,3-c]pyridin-10-ol

5,5-dimethyl-8-(1,2-dimethylheptyl)-10-hydroxy-1,2,3,4-tetrahydro-5H-[1]benzopyrano[4,3-c]pyridine

2-benzyl-5,5-dimethyl-8-(1,2-dimethylheptyl)-10-hydroxy-1,2,3,4-tetrahydro-5H-[1]benzopyrano[4,3-c]pyridine