Ethyl 4-[3-[3-[2-(1-hydroxycyclohexyl)ethyl]-4-oxo-2-thiazolidinyl]propyl]benzoate

Base Information

Chemical Name:Ethyl 4-[3-[3-[2-(1-hydroxycyclohexyl)ethyl]-4-oxo-2-thiazolidinyl]propyl]benzoate
CAS No.:72313-43-0
Molecular Formula:C₂₃H₃₃NO₄S
Molecular Weight:419.585
Hs Code.:
DSSTox Substance ID:DTXSID901130899

Synonyms:72313-43-0;Ethyl 4-[3-[3-[2-(1-hydroxycyclohexyl)ethyl]-4-oxo-2-thiazolidinyl]propyl]benzoate;ethyl 4-{3-[3-[2-(1-hydroxycyclohexyl)ethyl]-4-oxo-2-thiazolidinyl]propyl}benzoate;SCHEMBL11302664;ZIDKVEIDTRJRDJ-UHFFFAOYSA-N;DTXSID901130899;ethyl 4-{3-[3-[2-(1-hydroxycyclohexyl)ethyl]-4-oxo-2-thiazolidinyl]propyl}-benzoate;Benzoic acid, 4-[3-[3-[2-(1-hydroxycyclohexyl)ethyl]-4-oxo-2-thiazolidinyl]propyl]-, ethyl ester;Benzoicacid,4-[3-[3-[2-(1-hydroxycyclohexyl)ethyl]-4-oxo-2-thiazolidinyl]propyl]-,ethylester

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Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of Ethyl 4-[3-[3-[2-(1-hydroxycyclohexyl)ethyl]-4-oxo-2-thiazolidinyl]propyl]benzoate

Chemical Property:

XLogP3:4.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:10
Exact Mass:419.21302971
Heavy Atom Count:29
Complexity:541

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCOC(=O)C1=CC=C(C=C1)CCCC2N(C(=O)CS2)CCC3(CCCCC3)O

Technology Process of Ethyl 4-[3-[3-[2-(1-hydroxycyclohexyl)ethyl]-4-oxo-2-thiazolidinyl]propyl]benzoate

There total 5 articles about Ethyl 4-[3-[3-[2-(1-hydroxycyclohexyl)ethyl]-4-oxo-2-thiazolidinyl]propyl]benzoate 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:

: 14368-55-9
2-(1-hydroxycyclohexyl)acetonitrile

: 72313-43-0
ethyl 4-{3-[3-[2-(1-hydroxycyclohexyl)ethyl]-4-oxo-2-thiazolidinyl]propyl}benzoate

Guidance literature:: Multi-step reaction with 2 steps

1: 52 percent / lithium tetrahydridoaluminate / diethyl ether / 2 h / Heating

2: 2.) Et₃N / 1.) toluene, reflux, 1 h, 2.) toluene, reflux, 21 h

With lithium aluminium tetrahydride; triethylamine; In diethyl ether;
DOI:10.1021/jm00357a006

Reference yield:

: 108-94-1,11119-77-0,9003-41-2,9075-99-4
cyclohexanone

: 72313-43-0
ethyl 4-{3-[3-[2-(1-hydroxycyclohexyl)ethyl]-4-oxo-2-thiazolidinyl]propyl}benzoate

Guidance literature:: Multi-step reaction with 3 steps

1: 1.) butyllithium, diisopropylamine, 2.) HMPA / 1.) hexane, THF, - 78 deg C, 20 min, 2.) hexane, THF, - 78 deg C, 45 min

2: 52 percent / lithium tetrahydridoaluminate / diethyl ether / 2 h / Heating

3: 2.) Et₃N / 1.) toluene, reflux, 1 h, 2.) toluene, reflux, 21 h

With N,N,N,N,N,N-hexamethylphosphoric triamide; lithium aluminium tetrahydride; n-butyllithium; triethylamine; diisopropylamine; In diethyl ether;
DOI:10.1021/jm00357a006

Reference yield:

: 99-94-5
p-Toluic acid

: 72313-43-0
ethyl 4-{3-[3-[2-(1-hydroxycyclohexyl)ethyl]-4-oxo-2-thiazolidinyl]propyl}benzoate

Guidance literature:: Multi-step reaction with 3 steps

1: 1.) diisopropylamine, HMPA, 2.) K₂CO₃ / 1.) THF, from 0 deg C to 5 deg C, 30 min, 2.) DMF, from 25 deg C to 27 deg C, 16 h

2: 100 percent / HCl / H₂O; acetic acid / 1.5 h / 55 - 60 °C

3: 2.) Et₃N / 1.) toluene, reflux, 1 h, 2.) toluene, reflux, 21 h

With hydrogenchloride; N,N,N,N,N,N-hexamethylphosphoric triamide; potassium carbonate; triethylamine; diisopropylamine; In water; acetic acid;
DOI:10.1021/jm00357a006