(R,E)-N-Benzyl-N-[(R,E)-2,4-dimethyl-5-oxo-5-(pyrrolidin-1-yl) pent-3-en-5-yl]-5-chloro-2,4-dimethylpent-3-enamide

Base Information

Chemical Name:(R,E)-N-Benzyl-N-[(R,E)-2,4-dimethyl-5-oxo-5-(pyrrolidin-1-yl) pent-3-en-5-yl]-5-chloro-2,4-dimethylpent-3-enamide
CAS No.:1352449-43-4
Molecular Formula:C₂₅H₃₅ClN₂O₂
Molecular Weight:431.018
Hs Code.:
DSSTox Substance ID:DTXSID101037259

Synonyms:(R,E)-N-Benzyl-N-[(R,E)-2,4-dimethyl-5-oxo-5-(pyrrolidin-1-yl) pent-3-en-5-yl]-5-chloro-2,4-dimethylpent-3-enamide;SCHEMBL20121327;DTXSID101037259;(2R,3E)-N-Benzyl-5-chloro-N-[(2E,4R)-2,4-dimethyl-5-oxo-5-(pyrrolidin-1-yl)pent-2-en-1-yl]-2,4-dimethylpent-3-enamide;1352449-43-4

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

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Chemical Property of (R,E)-N-Benzyl-N-[(R,E)-2,4-dimethyl-5-oxo-5-(pyrrolidin-1-yl) pent-3-en-5-yl]-5-chloro-2,4-dimethylpent-3-enamide

Chemical Property:

XLogP3:5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:9
Exact Mass:430.2387061
Heavy Atom Count:30
Complexity:631

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC(C=C(C)CN(CC1=CC=CC=C1)C(=O)C(C)C=C(C)CCl)C(=O)N2CCCC2
Isomeric SMILES:C[C@H](/C=C(\C)/CN(CC1=CC=CC=C1)C(=O)[C@H](C)/C=C(\C)/CCl)C(=O)N2CCCC2

Technology Process of (R,E)-N-Benzyl-N-[(R,E)-2,4-dimethyl-5-oxo-5-(pyrrolidin-1-yl) pent-3-en-5-yl]-5-chloro-2,4-dimethylpent-3-enamide

There total 3 articles about (R,E)-N-Benzyl-N-[(R,E)-2,4-dimethyl-5-oxo-5-(pyrrolidin-1-yl) pent-3-en-5-yl]-5-chloro-2,4-dimethylpent-3-enamide 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: 84.0%

: 1352449-34-3
(2R,3E)-5-chloro-2,4-dimethyl-3-pentenoic acid

: 1352449-42-3
C₁₈H₂₆N₂O

: 1352449-43-4
C₂₅H₃₅ClN₂O₂

Guidance literature:: With 4-methyl-morpholine; chloroformic acid ethyl ester; In tetrahydrofuran; at 0 ℃;
DOI:10.1038/nchem.1200

Reference yield:

: 1352449-40-1
C₁₁H₁₈ClNO

: 1352449-43-4
C₂₅H₃₅ClN₂O₂

Guidance literature:: Multi-step reaction with 2 steps

1: triethylamine / tetrahydrofuran / Reflux

2: 4-methyl-morpholine; chloroformic acid ethyl ester / tetrahydrofuran / 0 °C

With 4-methyl-morpholine; chloroformic acid ethyl ester; triethylamine; In tetrahydrofuran;
DOI:10.1038/nchem.1200

Reference yield:

: 1352449-34-3
(2R,3E)-5-chloro-2,4-dimethyl-3-pentenoic acid

: 1352449-43-4
C₂₅H₃₅ClN₂O₂

Guidance literature:: Multi-step reaction with 3 steps

1: 4-methyl-morpholine; chloroformic acid ethyl ester / tetrahydrofuran / 0 °C

2: triethylamine / tetrahydrofuran / Reflux

3: 4-methyl-morpholine; chloroformic acid ethyl ester / tetrahydrofuran / 0 °C

With 4-methyl-morpholine; chloroformic acid ethyl ester; triethylamine; In tetrahydrofuran;
DOI:10.1038/nchem.1200