1,2-Propanediol, 2-[(1R,2R,4R)-2-hydroxy-4-methylcyclohexyl]-, (2S)-

Base Information

• Chemical Name: 1,2-Propanediol, 2-[(1R,2R,4R)-2-hydroxy-4-methylcyclohexyl]-, (2S)-
• CAS No.: 820208-71-7
• Molecular Formula: C10H20O3
• Molecular Weight: 188.267
• DSSTox Substance ID: DTXSID10478635
• Nikkaji Number: J2.129.347D
• Wikidata: Q82312134
• Mol file: 820208-71-7.mol

Synonyms:820208-71-7;1,2-Propanediol, 2-[(1R,2R,4R)-2-hydroxy-4-methylcyclohexyl]-, (2S)-;DTXSID10478635

Chemical Property of 1,2-Propanediol, 2-[(1R,2R,4R)-2-hydroxy-4-methylcyclohexyl]-, (2S)-

Chemical Property:

• XLogP3: 1.1
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 188.14124450
• Heavy Atom Count: 13
• Complexity: 172

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1CCC(C(C1)O)C(C)(CO)O
• Isomeric SMILES: C[C@@H]1CC[C@H]([C@@H](C1)O)[C@@](C)(CO)O

Technology Process of 1,2-Propanediol, 2-[(1R,2R,4R)-2-hydroxy-4-methylcyclohexyl]-, (2S)-

There total 7 articles about 1,2-Propanediol, 2-[(1R,2R,4R)-2-hydroxy-4-methylcyclohexyl]-, (2S)- 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: 91.0%

C17H26O3 → (2S)-2-[(1R,2R,4R)-2-hydroxy-4-methylcyclohexyl]propane-1,2-diol (820208-71-7)

Guidance literature:

With 5%-palladium/activated carbon; hydrogen; In methanol; at 25 ℃; for 24h; under 760.051 Torr;

DOI:10.1039/d0ra07739a

Reference yield: 33.0%

isopulegol (7786-67-6,18674-65-2,20549-46-6,21290-09-5,29141-10-4,50373-36-9,59905-53-2,59905-54-3,96612-21-4,104870-56-6,121468-66-4,122517-60-6,122517-61-7,144541-38-8,89-79-2) → (2S)-2-[(1R,2R,4R)-2-hydroxy-4-methylcyclohexyl]propane-1,2-diol (820208-71-7) + (2R)-2-[(1R,2R,4R)-2-hydroxy-4-methylcyclohexyl]propane-1,2-diol

Guidance literature:

With osmium(VIII) oxide; water; 4-methylmorpholine N-oxide; In acetone; tert-butyl alcohol; at 25 ℃; for 24h;

DOI:10.1039/d0ra07739a

Reference yield: 32.0%

isopulegol (7786-67-6,18674-65-2,20549-46-6,21290-09-5,29141-10-4,50373-36-9,59905-53-2,59905-54-3,96612-21-4,104870-56-6,121468-66-4,122517-60-6,122517-61-7,144541-38-8,89-79-2) → 2-[(1R,2R,4R)-2-hydroxy-4-methylcyclohexyl]propane-1,2-diol + (2S)-2-[(1R,2R,4R)-2-hydroxy-4-methylcyclohexyl]propane-1,2-diol (820208-71-7)

Guidance literature:

isopulegol; With formic acid; dihydrogen peroxide; at 50 ℃; for 8h;

With sodium hydroxide; In water; at 50 ℃; for 1h;

DOI:10.1002/hlca.200490233

upstream raw materials:

isopulegol

Downstream raw materials:

(1R,2R,5R)-5-methyl-2-[(4S)-2,2,4-trimethyl-1,3-dioxolan-4-yl]cyclohexan-1-ol