(1S,2S,4R)-1-Methyl-2-(morpholin-4-yl)-4-(prop-1-en-2-yl)cyclohexan-1-ol

Base Information

• Chemical Name: (1S,2S,4R)-1-Methyl-2-(morpholin-4-yl)-4-(prop-1-en-2-yl)cyclohexan-1-ol
• CAS No.: 367512-42-3
• Molecular Formula: C14H25NO2
• Molecular Weight: 239.358
• UNII: 68YVH76PE4
• DSSTox Substance ID: DTXSID10579292
• Nikkaji Number: J1.565.870C
• Wikidata: Q82469775
• Mol file: 367512-42-3.mol

Synonyms:367512-42-3;(1S,2S,4R)-1-Methyl-2-(morpholin-4-yl)-4-(prop-1-en-2-yl)cyclohexan-1-ol;(1S,2S,4R)-1-methyl-2-morpholin-4-yl-4-prop-1-en-2-ylcyclohexan-1-ol;Cyclohexanol, 1-methyl-4-(1-methylethenyl)-2-(4-morpholinyl)-, (1S,2S,4R)-;68YVH76PE4;SCHEMBL4583043;DTXSID10579292;(1S,2S,4R)-1-Methyl-4-(1-methylethenyl)-2-(4-morpholinyl)cyclohexanol;1-Methyl-2-morpholin-4-yl-4-prop-1-en-2-ylcyclohexan-1-ol, (1S,2S,4R)-

Chemical Property of (1S,2S,4R)-1-Methyl-2-(morpholin-4-yl)-4-(prop-1-en-2-yl)cyclohexan-1-ol

Chemical Property:

• Boiling Point: 147 - 150 °C (3.5 mmHg)
• PSA: 32.70000
• LogP: 1.75230
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 239.188529040
• Heavy Atom Count: 17
• Complexity: 286

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=C)C1CCC(C(C1)N2CCOCC2)(C)O
• Isomeric SMILES: CC(=C)[C@@H]1CC[C@]([C@H](C1)N2CCOCC2)(C)O

Technology Process of (1S,2S,4R)-1-Methyl-2-(morpholin-4-yl)-4-(prop-1-en-2-yl)cyclohexan-1-ol

There total 3 articles about (1S,2S,4R)-1-Methyl-2-(morpholin-4-yl)-4-(prop-1-en-2-yl)cyclohexan-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:

morpholine (110-91-8,99108-56-2) + (4R)-limonene 1,2-epoxide (1195-92-2) → C14H25NO2 + (+)-(1S,2S,4R)-1-methyl-4-(1-methylethylethyl)-2-(4-morpholinyl)-1-cyclohexanol (367512-42-3)

Guidance literature:

(4R)-limonene 1,2-epoxide; With lithium acetate; In ethanol; at 50 ℃; for 0.55h;

morpholine; In ethanol; at 50 - 60 ℃; for 16h; Conversion of starting material;

Reference yield:

morpholine (110-91-8,99108-56-2) + (4R)-limonene 1,2-epoxide (1195-92-2) → cis-(R)-limonene oxide (4680-24-4) + (+)-(1S,2S,4R)-1-methyl-4-(1-methylethylethyl)-2-(4-morpholinyl)-1-cyclohexanol (367512-42-3)

Guidance literature:

In water; for 68.5h; Heating;

DOI:10.1016/S0040-4039(01)01135-2

Reference yield:

(1S,2S,4R)-1-methyl-4-(1-methylethenyl)-2-(4-morpholino)cyclohexanol oxalate → (+)-(1S,2S,4R)-1-methyl-4-(1-methylethylethyl)-2-(4-morpholinyl)-1-cyclohexanol (367512-42-3)

Guidance literature:

With potassium hydroxide;

upstream raw materials:

morpholine

(4R)-limonene 1,2-epoxide

Downstream raw materials:

(1S,2S,4R)-2-(N-morpholinyl)-1-methyl-4-(1-methylethenyl)-cyclohexanol N-oxide

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