trans-Ethyl 2-hydroxycyclohexanecarboxylate

Base Information

• Chemical Name: trans-Ethyl 2-hydroxycyclohexanecarboxylate
• CAS No.: 6125-55-9
• Molecular Formula: C₉H₁₆O₃
• Molecular Weight: 172.224
• Hs Code.: 2918199090
• European Community (EC) Number: 676-106-1
• Nikkaji Number: J729.871D
• Wikidata: Q76119939
• Mol file: 6125-55-9.mol

Synonyms:6125-55-9;trans-Ethyl 2-hydroxycyclohexanecarboxylate;(1R,2R)-ethyl 2-hydroxycyclohexanecarboxylate;119068-36-9;ethyl (1R,2R)-2-hydroxycyclohexane-1-carboxylate;Ethyl trans-2-hydroxycyclohexanecarboxylate;trans-2-hydroxy-cyclohexanecarboxylic acid ethyl ester;ethyl trans-2-hydroxy-1-cyclohexanecarboxylate;ethyl (R,R)-2-hydroxycyclohexanecarboxylate;SCHEMBL7074592;Cyclohexanecarboxylic acid, 2-hydroxy-, ethyl ester, (1R,2R)-rel-;MFCD00144298;AKOS015919731;CS-W023035;DS-1747;A4162;(1R,2R)-ethyl2-hydroxycyclohexanecarboxylate;A833126;A892672;2alpha-Hydroxycyclohexane-1beta-carboxylic acid ethyl ester

Chemical Property of trans-Ethyl 2-hydroxycyclohexanecarboxylate

Chemical Property:

• Vapor Pressure: 0.00322mmHg at 25°C
• Boiling Point: 251.4°Cat760mmHg
• PKA: 14.67±0.40(Predicted)
• Flash Point: 100.2°C
• PSA: 46.53000
• Density: 1.093g/cm³
• LogP: 1.10060
• Storage Temp.: 2-8°C
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 172.109944368
• Heavy Atom Count: 12
• Complexity: 156

Purity/Quality:

99%, ^*data from raw suppliers

trans-Ethyl2-Hydroxycyclohexanecarboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1CCCCC1O
• Isomeric SMILES: CCOC(=O)[C@@H]1CCCC[C@H]1O

Technology Process of trans-Ethyl 2-hydroxycyclohexanecarboxylate

There total 35 articles about trans-Ethyl 2-hydroxycyclohexanecarboxylate 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: 65.0%

ethyl 2-oxocyclohexane carboxylate (1655-07-8) → (1R,2S)-ethyl 2-hydroxycyclohexanecarboxylate (1655-06-7,6125-55-9,6149-52-6,29569-79-7,61586-78-5,77026-73-4,119068-36-9,119068-37-0,3444-72-2)

Guidance literature:

With N-tert-butylaminoborane; In diethyl ether; for 16h; Yields of byproduct given; Ambient temperature;

DOI:10.1016/S0040-4039(00)71448-1

Reference yield: 53.0%

ethyl 2-oxocyclohexane carboxylate (1655-07-8) → cis-ethyl 2-hydroxy-cyclohexanoate (1655-06-7,3444-72-2,6125-55-9,6149-52-6,29569-79-7,61586-78-5,77026-73-4,119068-36-9,119068-37-0) + (+-)-trans-2-hydroxy-cyclohexanecarboxylic acid ethyl ester (1655-06-7,3444-72-2,6125-55-9,6149-52-6,29569-79-7,61586-78-5,77026-73-4,119068-36-9,119068-37-0)

Guidance literature:

With hydrogen; platinum(IV) oxide; In ethanol; for 72h; under 45600 Torr; Ambient temperature;

DOI:10.1016/0957-4166(96)00384-9

Reference yield: 53.0%

ethyl 2-oxocyclohexane carboxylate (1655-07-8) → cis-ethyl 2-hydroxy-cyclohexanoate (1655-06-7,3444-72-2,6125-55-9,6149-52-6,29569-79-7,61586-78-5,77026-73-4,119068-36-9,119068-37-0) + (+-)-trans-2-hydroxy-cyclohexanecarboxylic acid ethyl ester (1655-06-7,3444-72-2,6125-55-9,6149-52-6,29569-79-7,61586-78-5,77026-73-4,119068-36-9,119068-37-0)

Guidance literature:

With hydrogen; platinum(IV) oxide; In ethanol; for 72h; under 45600 Torr; Ambient temperature;

DOI:10.1016/0957-4166(96)00384-9

upstream raw materials:

ethanol

Salicylic acid

ethyl 2-oxocyclohexane carboxylate

sulfuric acid

Downstream raw materials:

ethyl 2-oxocyclohexane carboxylate

N-methyl-cis-2-hydroxy-1-cyclohexanecarboxamide

(+/-)-trans-2-acetoxy-cyclohexanecarboxylic acid ethyl ester

N-methyl-trans-2-hydroxycyclohexane-1-carboxamide

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