(1S,2S,5S,6R,9S,13S,14S,17R)-2,6,17-trimethyl-14-propan-2-ylpentacyclo[9.7.0.02,9.05,9.013,17]octadec-10-ene-10-carboxylic acid

Base Information

Chemical Name:(1S,2S,5S,6R,9S,13S,14S,17R)-2,6,17-trimethyl-14-propan-2-ylpentacyclo[9.7.0.02,9.05,9.013,17]octadec-10-ene-10-carboxylic acid
CAS No.:40184-98-3
Molecular Formula:C25H38O2
Molecular Weight:370.568
Hs Code.:
Nikkaji Number:J18.471C
Mol file:40184-98-3.mol

Synonyms:

Suppliers and Price of (1S,2S,5S,6R,9S,13S,14S,17R)-2,6,17-trimethyl-14-propan-2-ylpentacyclo[9.7.0.02,9.05,9.013,17]octadec-10-ene-10-carboxylic acid

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of (1S,2S,5S,6R,9S,13S,14S,17R)-2,6,17-trimethyl-14-propan-2-ylpentacyclo[9.7.0.02,9.05,9.013,17]octadec-10-ene-10-carboxylic acid

Chemical Property:

Vapor Pressure:1E-10mmHg at 25°C
Boiling Point:484.7°Cat760mmHg
Flash Point:229.8°C
PSA：37.30000
Density:1.1g/cm³
LogP:6.31230
XLogP3:7.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:370.287180451
Heavy Atom Count:27
Complexity:720

Purity/Quality:: 95% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1CCC23C1CCC2(C4CC5(CCC(C5CC4=C3C(=O)O)C(C)C)C)C
Isomeric SMILES:C[C@@H]1CC[C@]23[C@H]1CC[C@]2([C@H]4C[C@]5(CC[C@H]([C@@H]5CC4=C3C(=O)O)C(C)C)C)C

Technology Process of (1S,2S,5S,6R,9S,13S,14S,17R)-2,6,17-trimethyl-14-propan-2-ylpentacyclo[9.7.0.02,9.05,9.013,17]octadec-10-ene-10-carboxylic acid

There total 7 articles about (1S,2S,5S,6R,9S,13S,14S,17R)-2,6,17-trimethyl-14-propan-2-ylpentacyclo[9.7.0.02,9.05,9.013,17]octadec-10-ene-10-carboxylic acid 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: 45.0%

: 119987-98-3,122090-29-3
Ethyl <3R-(3α,3aα,5aβ,5bβ,6aβ,9α,9aα,11aS^*)>-2,3,3a,4,5,5a,5b,6,6a,7,8,9,9a,10-tetradecahydro-3,5a,6a-trimethyl-9-isopropyl-1H-pentaleno<1,6a-a>-s-indacene-11-carboxylate

: 40184-98-3,96997-71-6,108814-51-3,108814-56-8,115588-68-6
Retigeranic acid

Guidance literature:: With potassium hydroxide; In ethanol; for 2h; Heating;
DOI:10.1021/ja00199a032

Reference yield:

: 119988-00-0,120054-47-9
(1aR,3aS,4R)-1-((3S,3aS,7aR)-3-Isopropyl-7a-methyl-2,3,3a,4,7,7a-hexahydro-1H-inden-5-yl)-1a,4-dimethyl-2-oxo-octahydro-cyclopropa[c]pentalene-1-carboxylic acid ethyl ester

: 40184-98-3,96997-71-6,108814-51-3,108814-56-8,115588-68-6
Retigeranic acid

Guidance literature:: Multi-step reaction with 5 steps

1: 27 percent / PbCO₃ / 585 °C / 0 Torr

2: NaBH₄ / methanol / 0.33 h / Ambient temperature

4: 1.) NBS, benzoyl peroxide, 2.) tributyltin hydride / 1.) CCl₄, reflux, 30 min, 2.) toluene, reflux, 20 min

5: 45 percent / 5percent aq. KOH / ethanol / 2 h / Heating

With potassium hydroxide; sodium tetrahydroborate; N-Bromosuccinimide; Perbenzoic acid; lead(II) carbonate; tri-n-butyl-tin hydride; In methanol; ethanol;
DOI:10.1021/ja00199a032

Reference yield:

: 119987-98-3,122090-29-3
Ethyl <3R-(3α,3aα,5aβ,5bα,6aβ,9α,9aα,11aS^*)>-2,3,3a,4,5,5a,5b,6,6a,7,8,9,9a,10-tetradecahydro-3,5a,6a-trimethyl-9-isopropyl-1H-pentaleno<1,6a-a>-s-indacene-11-carboxylate

: 40184-98-3,96997-71-6,108814-51-3,108814-56-8,115588-68-6
Retigeranic acid

Guidance literature:: Multi-step reaction with 2 steps

1: 1.) NBS, benzoyl peroxide, 2.) tributyltin hydride / 1.) CCl₄, reflux, 30 min, 2.) toluene, reflux, 20 min

2: 45 percent / 5percent aq. KOH / ethanol / 2 h / Heating

With potassium hydroxide; N-Bromosuccinimide; Perbenzoic acid; tri-n-butyl-tin hydride; In ethanol;
DOI:10.1021/ja00199a032