(1R,4S,4aR,7S,7aR)-4,7-dimethyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyran-1-ol

Base Information

• Chemical Name: (1R,4S,4aR,7S,7aR)-4,7-dimethyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyran-1-ol
• CAS No.: 21699-53-6
• Molecular Formula: C₁₀H₁₈O₂
• Molecular Weight: 170.252
• Hs Code.: 2932999099
• Nikkaji Number: J1.868.301F
• Mol file: 21699-53-6.mol

Synonyms:SCHEMBL1301753

Chemical Property of (1R,4S,4aR,7S,7aR)-4,7-dimethyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyran-1-ol

Chemical Property:

• Vapor Pressure: 0.00313mmHg at 25°C
• Refractive Index: 1.475
• Boiling Point: 251.8 °C at 760mmHg
• PKA: 13.13±0.60(Predicted)
• Flash Point: 98.9 °C
• PSA: 29.46000
• Density: 1.009 g/cm³
• LogP: 1.63340
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 170.130679813
• Heavy Atom Count: 12
• Complexity: 169

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CCC2C1C(OCC2C)O
• Isomeric SMILES: C[C@H]1CC[C@H]2[C@@H]1[C@@H](OC[C@H]2C)O

Technology Process of (1R,4S,4aR,7S,7aR)-4,7-dimethyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyran-1-ol

There total 15 articles about (1R,4S,4aR,7S,7aR)-4,7-dimethyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyran-1-ol 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: 78.0%

(1S,4R,4aR,7S,7aR)-1-(2-Ethoxy-ethoxy)-4,7-dimethyl-octahydro-cyclopenta[c]pyran (142603-57-4,142696-48-8) → isodihydronepetalactol (21699-53-6,34258-02-1,75281-29-7,75281-30-0,75281-37-7,95839-02-4)

Guidance literature:

With hydrogenchloride; In tetrahydrofuran;

Reference yield: 64.0%

(4αS,7S,7αR)nepetalactol (109215-55-6) → neomatatabiol (21699-53-6) + (1R,4R,4aR,7S,7aR)-dihydronepetalactol (34258-02-1)

Guidance literature:

With hydrogen; 10% palladium on active carbon; In ethanol;

DOI:10.1023/A:1015201129331

Reference yield: 50.0%

(4aR,7S,7aR)-dihydronepetalactone (490-09-5,4581-72-0,17672-96-7,21950-33-4,24190-26-9,24190-27-0,24307-04-8,35337-14-5,35337-15-6,60103-05-1,60103-06-2,60103-07-3,75362-92-4,76831-46-4,76831-47-5,89955-09-9,106622-71-3) → neomatatabiol (21699-53-6) + (1R,4R,4aR,7S,7aR)-dihydronepetalactol (34258-02-1)

Guidance literature:

With diisobutylaluminium hydride; In tetrahydrofuran; hexane; at -78 - 20 ℃; for 1h;

DOI:10.1023/A:1015201129331

upstream raw materials:

(4aR,7S,7aR)-dihydronepetalactone

(4αS,7S,7αR)nepetalactol

(1S,4R,4aR,7S,7aR)-1-(2-Ethoxy-ethoxy)-4,7-dimethyl-octahydro-cyclopenta[c]pyran

(1R,4aS,7S,7aR)-1-(2-Ethoxy-ethoxy)-4,7-dimethyl-1,4a,5,6,7,7a-hexahydro-cyclopenta[c]pyran

Downstream raw materials:

(4R,4aR,7R,7aR)-4,7-Dimethyl-hexahydro-cyclopenta[c]pyran-1-one

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