Occidentalol

Base Information

• Chemical Name: Occidentalol
• CAS No.: 473-17-6
• Molecular Formula: C15H24O
• Molecular Weight: 220.36
• UNII: M413F1EX1M
• Nikkaji Number: J38.792D
• Wikidata: Q27896794
• Mol file: 473-17-6.mol

Synonyms:Occidentalol;(+)-Occidentalol;Occidentalol, (+)-;M413F1EX1M;UNII-M413F1EX1M;473-17-6;(2R,4aR,8aS)-1,2,3,4,4a,8a-Hexahydro-alpha,alpha,4a,8-tetramethyl-2-naphthalenemethanol;2-Naphthalenemethanol, 1,2,3,4,4a,8a-hexahydro-alpha,alpha,4a,8-tetramethyl-, (2R,4aR,8aS)- 10alpha-eudesma-1,3-dien-11-ol;SCHEMBL6511459;AMZWKSYAMHGGSR-IPYPFGDCSA-N;Q27896794;(2R,4AR,8AS)-1,2,3,4,4A,8A-HEXAHYDRO-.ALPHA.,.ALPHA.,4A,8-TETRAMETHYL-2-NAPHTHALENEMETHANOL;2-NAPHTHALENEMETHANOL, 1,2,3,4,4A,8A-HEXAHYDRO-.ALPHA.,.ALPHA.,4A,8-TETRAMETHYL-, (2R,4AR,8AS)- 10.ALPHA.-EUDESMA-1,3-DIEN-11-OL

Chemical Property of Occidentalol

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 306.327°C at 760 mmHg
• Flash Point: 113.075°C
• PSA: 20.23000
• Density: 0.979g/cm³
• LogP: 3.69600
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 220.182715385
• Heavy Atom Count: 16
• Complexity: 337

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC=CC2(C1CC(CC2)C(C)(C)O)C
• Isomeric SMILES: CC1=CC=C[C@@]2([C@H]1C[C@@H](CC2)C(C)(C)O)C

Technology Process of Occidentalol

There total 23 articles about Occidentalol 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:

(4aS,8S,8aR)-4a,8-Dimethyl-6-oxo-1,4,4a,5,6,7,8,8a-octahydro-naphthalene-2-carboxylic acid methyl ester (73878-86-1) → (+/-)-occidentalol (473-17-6,29484-46-6,29484-47-7,37574-03-1,39724-73-7,94065-15-3)

Guidance literature:

Multi-step reaction with 5 steps

1: 54 percent / hydrogen / Adams' catalyst / ethanol / 336 h

2: 90 percent / phosphorus oxychloride / pyridine

3: 1.) N-bromosuccinimide; 2.) 1,8-diazabicyclo<5.4.0>undecene-7 / 1.) CCl₄; 2.) benzene

4: 85 percent / sodium methoxide / methanol

With N-Bromosuccinimide; hydrogen; sodium methylate; 1,8-diazabicyclo[5.4.0]undec-7-ene; trichlorophosphate; platinum(IV) oxide; In pyridine; methanol; ethanol;

DOI:10.1246/cl.1980.107

Reference yield:

(4S,4aR,6R,8aS)-6-Hydroxymethyl-7-methoxymethoxy-4,8a-dimethyl-1,2,3,4,4a,5,6,8a-octahydro-naphthalen-2-ol (73878-81-6) → (+/-)-occidentalol (473-17-6,29484-46-6,29484-47-7,37574-03-1,39724-73-7,94065-15-3)

Guidance literature:

Multi-step reaction with 9 steps

1: 80 percent / boron trifluoride / tetrahydrofuran

2: 54 percent / sodium borohydride / H₂O; tetrahydrofuran

3: 1.) thionyl chloride; 2.) 1,8-diazabicyclo<5.4.0>undecene-7 / 1.) pyridine; 2.) benzene

4: acetic acid, HCl

5: 54 percent / hydrogen / Adams' catalyst / ethanol / 336 h

6: 90 percent / phosphorus oxychloride / pyridine

7: 1.) N-bromosuccinimide; 2.) 1,8-diazabicyclo<5.4.0>undecene-7 / 1.) CCl₄; 2.) benzene

8: 85 percent / sodium methoxide / methanol

With hydrogenchloride; sodium tetrahydroborate; N-Bromosuccinimide; thionyl chloride; boron trifluoride; hydrogen; sodium methylate; acetic acid; 1,8-diazabicyclo[5.4.0]undec-7-ene; trichlorophosphate; platinum(IV) oxide; In tetrahydrofuran; pyridine; methanol; ethanol; water;

DOI:10.1246/cl.1980.107

Reference yield:

(4aR,8R,8aS)-3-Hydroxy-4a,8-dimethyl-6-oxo-1,4,4a,5,6,7,8,8a-octahydro-naphthalene-2-carboxylic acid methyl ester (73878-79-2) → (+/-)-occidentalol (473-17-6,29484-46-6,29484-47-7,37574-03-1,39724-73-7,94065-15-3)

Guidance literature:

Multi-step reaction with 11 steps

1: sodium hydride

2: lithium / liquid ammonia

3: 80 percent / boron trifluoride / tetrahydrofuran

4: 54 percent / sodium borohydride / H₂O; tetrahydrofuran

5: 1.) thionyl chloride; 2.) 1,8-diazabicyclo<5.4.0>undecene-7 / 1.) pyridine; 2.) benzene

6: acetic acid, HCl

7: 54 percent / hydrogen / Adams' catalyst / ethanol / 336 h

8: 90 percent / phosphorus oxychloride / pyridine

9: 1.) N-bromosuccinimide; 2.) 1,8-diazabicyclo<5.4.0>undecene-7 / 1.) CCl₄; 2.) benzene

10: 85 percent / sodium methoxide / methanol

With hydrogenchloride; sodium tetrahydroborate; N-Bromosuccinimide; thionyl chloride; boron trifluoride; hydrogen; sodium methylate; lithium; sodium hydride; acetic acid; 1,8-diazabicyclo[5.4.0]undec-7-ene; trichlorophosphate; platinum(IV) oxide; In tetrahydrofuran; pyridine; methanol; ethanol; ammonia; water;

DOI:10.1246/cl.1980.107

upstream raw materials:

2-((2R,4aR,8S,8aS)-4a,8-Dimethyl-1,2,3,4,4a,5,8,8a-octahydro-naphthalen-2-yl)-propan-2-ol

(1R,4aR,7R,8aS)-7-(1-Hydroxy-1-methyl-ethyl)-1,4a-dimethyl-4a,5,6,7,8,8a-hexahydro-1H-naphthalen-2-one

(4R,4aS,6R,8aS)-6-(1-Hydroxy-1-methyl-ethyl)-4,8a-dimethyl-3-oxo-3,4,4a,5,6,7,8,8a-octahydro-naphthalene-2-carbaldehyde

(2R,5R)-5-isopropenyl-2-methylcyclohexanone

Downstream raw materials:

eudesman-11-ol

10-epi-eudesmol

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