Methyl 3-(2-hydroxycyclohexyl)propanoate

Base Information

• Chemical Name: Methyl 3-(2-hydroxycyclohexyl)propanoate
• CAS No.: 63714-95-4
• Molecular Formula: C10H18O3
• Molecular Weight: 186.251
• Hs Code.: 2918199090
• DSSTox Substance ID: DTXSID90496251
• Nikkaji Number: J22.819B
• Mol file: 63714-95-4.mol

Synonyms:63714-95-4;Methyl 3-(2-hydroxycyclohexyl)propanoate;3-(2-Hydroxycyclohexyl)propionic acid methyl ester;SCHEMBL9014358;DTXSID90496251

Chemical Property of Methyl 3-(2-hydroxycyclohexyl)propanoate

Chemical Property:

• PSA: 46.53000
• LogP: 1.49070
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 186.125594432
• Heavy Atom Count: 13
• Complexity: 168

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)CCC1CCCCC1O

Technology Process of Methyl 3-(2-hydroxycyclohexyl)propanoate

There total 5 articles about Methyl 3-(2-hydroxycyclohexyl)propanoate 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: 12.0%

cyclohexane-1,2-epoxide (286-20-4) + thiophenol (108-98-5) + acrylic acid methyl ester (292638-85-8,9003-21-8,96-33-3) → trans-2-(phenylsulfanyl)cyclohexanol (133576-46-2) + methyl-3-(2'-hydroxycyclohexyl)propionate (63714-95-4) + methyl-3-(2'-hydroxycyclohexyl)-2-phenylthiopropionate (132177-75-4) + diphenyldisulfane (882-33-7)

Guidance literature:

With cobalt(II) chloride; In acetonitrile; at 60 ℃; for 48h;

DOI:10.1016/S0040-4020(01)96012-0

Reference yield:

coumarin (91-64-5) → octahydrocoumarin (4430-31-3,14072-79-8,23201-43-6,121902-57-6,121902-58-7) + cyclohexanepropionic acid (701-97-3) + methyl-3-(2'-hydroxycyclohexyl)propionate (63714-95-4) + 3-Phenylpropionic acid (501-52-0)

Guidance literature:

With 5% active carbon-supported ruthenium; hydrogen; In methanol; at 130 ℃; for 3h; under 75007.5 Torr; Autoclave;

DOI:10.1016/S1872-2067(15)60860-9

Reference yield:

coumarin (91-64-5) → octahydrocoumarin (4430-31-3,14072-79-8,23201-43-6,121902-57-6,121902-58-7) + cyclohexanepropionic acid (701-97-3) + methyl 3-(2-hydroxyphenyl)propionate (20349-89-7) + methyl-3-(2'-hydroxycyclohexyl)propionate (63714-95-4) + C6H4(CH2CH2C(O)O) (119-84-6,1341-36-2) + 3-Phenylpropionic acid (501-52-0)

Guidance literature:

With 5% active carbon-supported ruthenium; hydrogen; In methanol; at 130 ℃; for 3h; under 75007.5 Torr; Autoclave;

DOI:10.1016/S1872-2067(15)60860-9

upstream raw materials:

cyclohexane-1,2-epoxide

thiophenol

acrylic acid methyl ester

methyl 3-(2-oxocyclohexyl)propionate

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