Methyl podocarpa-8,11,13-triem-15-oate

Base Information

• Chemical Name: Methyl podocarpa-8,11,13-triem-15-oate
• CAS No.: 3650-04-2
• Molecular Formula: C₁₈H₂₄O₂
• Molecular Weight: 272.387
• DSSTox Substance ID: DTXSID60957804
• Mol file: 3650-04-2.mol

Synonyms:3650-04-2;DTXSID60957804;METHYL PODOCARPA-8,11,13-TRIEM-15-OATE;Methyl podocarpa-8(14),9(11),12-trien-15-oate

Chemical Property of Methyl podocarpa-8,11,13-triem-15-oate

Chemical Property:

• Vapor Pressure: 3.87E-05mmHg at 25°C
• Boiling Point: 352.3°C at 760 mmHg
• Flash Point: 160.6°C
• PSA: 26.30000
• Density: 1.051g/cm³
• LogP: 3.86990
• XLogP3: 4.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 272.177630004
• Heavy Atom Count: 20
• Complexity: 391

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC12CCCC(C1CCC3=CC=CC=C23)(C)C(=O)OC
• Isomeric SMILES: C[C@]12CCC[C@](C1CCC3=CC=CC=C23)(C)C(=O)OC

Technology Process of Methyl podocarpa-8,11,13-triem-15-oate

There total 2 articles about Methyl podocarpa-8,11,13-triem-15-oate 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:

Methyl 2-[2-(2-bromophenyl)ethyl]-1-methyl-3-methylenecyclohexanecarboxylate → (+/-)-10-epi-methyl desoxypodocarpate (1686-43-7,2651-34-5,2726-94-5,3650-04-2,3745-36-6,15292-60-1,16957-27-0,24035-56-1,108395-86-4) + methyl 1β,4aβ-dimethyl-1,2,3,4,4a,9,10,10aα-octahydrophenanthrene-1α-carboxylate (1686-43-7,2651-34-5,2726-94-5,3650-04-2,3745-36-6,15292-60-1,16957-27-0,24035-56-1,108395-86-4) + (1S,2S)-1-Methyl-3-methylene-2-phenethyl-cyclohexanecarboxylic acid methyl ester

Guidance literature:

With palladium diacetate; sodium formate; triphenylphosphine; In N,N-dimethyl-formamide; at 95 - 100 ℃; for 36h;

Reference yield:

Methyl 2-[2-(2-bromophenyl)ethyl]-1-methyl-3-methylenecyclohexanecarboxylate → (+/-)-10-epi-methyl desoxypodocarpate (1686-43-7,2651-34-5,2726-94-5,3650-04-2,3745-36-6,15292-60-1,16957-27-0,24035-56-1,108395-86-4) + methyl 1β,4aβ-dimethyl-1,2,3,4,4a,9,10,10aα-octahydrophenanthrene-1α-carboxylate (1686-43-7,2651-34-5,2726-94-5,3650-04-2,3745-36-6,15292-60-1,16957-27-0,24035-56-1,108395-86-4) + (1S,2S)-1-Methyl-3-methylene-2-phenethyl-cyclohexanecarboxylic acid methyl ester

Guidance literature:

With palladium diacetate; sodium formate; triphenylphosphine; In N,N-dimethyl-formamide; at 95 - 100 ℃; for 36h;

Reference yield:

methyl 1β,4aβ-dimethyl-1,2,3,4,4a,9,10,10aα-octahydrophenanthrene-1α-carboxylate (1686-43-7,2651-34-5,2726-94-5,3650-04-2,3745-36-6,15292-60-1,16957-27-0,24035-56-1,108395-86-4) → (+/-)-Desisopropyl-dehydro-abietinsaeure (1028-04-2,1220-69-5,1220-70-8,1673-20-7,3604-88-4,4586-72-5,5708-75-8,10178-11-7,14029-36-8,57345-30-9,107457-20-5)

Guidance literature:

With 2,4,6-trimethyl-pyridine; lithium iodide; Heating;

DOI:10.1021/ja01064a026

Downstream raw materials:

2-((1R)-3c-methoxycarbonyl-1,3t-dimethyl-2-oxo-cyclohex-r-yl)-benzoic acid

rac-5β-podocarpa-8,11,13-trien-15-oic acid

(+/-)-Desisopropyl-dehydro-abietinsaeure

Refernces