N-[4-[[(E)-3-phenylprop-2-enoyl]amino]butyl]benzamide

Base Information

Chemical Name:N-[4-[[(E)-3-phenylprop-2-enoyl]amino]butyl]benzamide
CAS No.:64223-54-7
Molecular Formula:C20H22 N2 O2
Molecular Weight:322.407
Hs Code.:
DSSTox Substance ID:DTXSID401346477
Nikkaji Number:J1.471.826E,J2.482.126I
Metabolomics Workbench ID:138247
ChEMBL ID:CHEMBL483414

Synonyms:pyramidatine

Suppliers and Price of N-[4-[[(E)-3-phenylprop-2-enoyl]amino]butyl]benzamide

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 N-[4-[[(E)-3-phenylprop-2-enoyl]amino]butyl]benzamide

Chemical Property:

XLogP3:3.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:8
Exact Mass:322.168127949
Heavy Atom Count:24
Complexity:408

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C=C1)C=CC(=O)NCCCCNC(=O)C2=CC=CC=C2
Isomeric SMILES:C1=CC=C(C=C1)/C=C/C(=O)NCCCCNC(=O)C2=CC=CC=C2

Technology Process of N-[4-[[(E)-3-phenylprop-2-enoyl]amino]butyl]benzamide

There total 4 articles about N-[4-[[(E)-3-phenylprop-2-enoyl]amino]butyl]benzamide 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: 86.0%

: 98-88-4
benzoyl chloride

: 462629-69-2
(E)-N-(4-aminobutyl)cinnamamide

: 64223-54-7
N-[4-(3-phenyl-prop-2-enoylamino)butyl]benzamide

Guidance literature:: With triethylamine; In ethyl acetate; at 20 ℃; for 0.25h;
DOI:10.1016/S0040-4020(02)00751-2

Reference yield:

: 102-92-1,17082-09-6
Cinnamoyl chloride

: 64223-54-7
N-[4-(3-phenyl-prop-2-enoylamino)butyl]benzamide

Guidance literature:: Multi-step reaction with 3 steps

1: 92 percent / Et₃N / CH₂Cl₂ / 2 h / 20 °C

2: 60 percent / aq. HCl / ethanol / 3 h / 40 °C

3: 86 percent / Et₃N / ethyl acetate / 0.25 h / 20 °C

With hydrogenchloride; triethylamine; In ethanol; dichloromethane; ethyl acetate;
DOI:10.1016/S0040-4020(02)00751-2

Reference yield:

: 474642-05-2
tert-butyl N-[4-(3-phenyl-prop-2-enoylamino)-butyl]carbamate

: 64223-54-7
N-[4-(3-phenyl-prop-2-enoylamino)butyl]benzamide

Guidance literature:: Multi-step reaction with 2 steps

1: 60 percent / aq. HCl / ethanol / 3 h / 40 °C

2: 86 percent / Et₃N / ethyl acetate / 0.25 h / 20 °C

With hydrogenchloride; triethylamine; In ethanol; ethyl acetate;
DOI:10.1016/S0040-4020(02)00751-2