rel-Ethyl (1R,2R)-2-(benzoylbutylamino)cyclopentaneacetate

Base Information

Chemical Name:rel-Ethyl (1R,2R)-2-(benzoylbutylamino)cyclopentaneacetate
CAS No.:124461-32-1
Molecular Formula:C₂₀H₂₉NO₃
Molecular Weight:331.455
Hs Code.:
DSSTox Substance ID:DTXSID801193127
Nikkaji Number:J591.948G

Synonyms:DTXSID801193127;124461-32-1;rel-Ethyl (1R,2R)-2-(benzoylbutylamino)cyclopentaneacetate

Suppliers and Price of rel-Ethyl (1R,2R)-2-(benzoylbutylamino)cyclopentaneacetate

Supply Marketing:

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

Manufacturers and distributors:

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Chemical Property of rel-Ethyl (1R,2R)-2-(benzoylbutylamino)cyclopentaneacetate

Chemical Property:

XLogP3:4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:9
Exact Mass:331.21474379
Heavy Atom Count:24
Complexity:404

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CCCCN(C1CCCC1CC(=O)OCC)C(=O)C2=CC=CC=C2
Isomeric SMILES:CCCCN([C@@H]1CCC[C@@H]1CC(=O)OCC)C(=O)C2=CC=CC=C2

Technology Process of rel-Ethyl (1R,2R)-2-(benzoylbutylamino)cyclopentaneacetate

There total 14 articles about rel-Ethyl (1R,2R)-2-(benzoylbutylamino)cyclopentaneacetate 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: 75.0%

: 64-17-5
ethanol

: [(1R,2R)-2-(Benzoyl-butyl-amino)-cyclopentyl]-acetyl chloride

: 124461-32-1
ethyl cis<2(N-benzoyl-N-butylamino)cyclopentyl>acetate

Guidance literature:: With pyridine; In dichloromethane; for 4h;

Reference yield: 43.0%

: 124461-14-9
N-butyl-N-<(E)-6-ethoxycarbonylhex-5-enyl>-2-iodobenzamide

: 124461-32-1
ethyl cis<2(N-benzoyl-N-butylamino)cyclopentyl>acetate

Guidance literature:: With tri-n-butyl-tin hydride; In benzene; at 80 ℃;
DOI:10.1021/ja00158a075

Reference yield:

: 36394-07-7
5-hexenoyl chloride

: 124461-32-1
ethyl cis<2(N-benzoyl-N-butylamino)cyclopentyl>acetate

Guidance literature:: Multi-step reaction with 6 steps

1: 75 percent / aq. NaOH / tetrahydrofuran / 12 h

2: 86 percent / LAH / diethyl ether; tetrahydrofuran / 15 h / Heating

3: 44 percent / Et₃N / CH₂Cl₂ / 8 h / 0 °C

4: ozone / CH₂Cl₂; methanol / -78 °C

5: NaH / tetrahydrofuran / 5 h

6: 42 percent / Bu₃SnH, AIBN / benzene / 8 h / Heating

With sodium hydroxide; lithium aluminium tetrahydride; 2,2'-azobis(isobutyronitrile); tri-n-butyl-tin hydride; sodium hydride; ozone; triethylamine; In tetrahydrofuran; methanol; diethyl ether; dichloromethane; benzene;