[7-oxo-6-[[(E)-3,4,5-trihydroxy-2-methoxy-8-methylnon-6-enoyl]amino]azepan-3-yl] tetradecanoate

Base Information

Chemical Name:[7-oxo-6-[[(E)-3,4,5-trihydroxy-2-methoxy-8-methylnon-6-enoyl]amino]azepan-3-yl] tetradecanoate
CAS No.:104947-68-4
Molecular Formula:C₃₁H₅₆N₂O₈
Molecular Weight:584.794
Hs Code.:
Metabolomics Workbench ID:169532

Synonyms:(3S,6S)-7-Oxo-6-(((2R,3R,4S,5R,6E)-3,4,5-trihydroxy-2-methoxy-8-methyl-6-nonenoyl)amino)-3-azepanyl myristate;bengamide A

Suppliers and Price of [7-oxo-6-[[(E)-3,4,5-trihydroxy-2-methoxy-8-methylnon-6-enoyl]amino]azepan-3-yl] tetradecanoate

Supply Marketing:

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

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Total 1 raw suppliers

Chemical Property of [7-oxo-6-[[(E)-3,4,5-trihydroxy-2-methoxy-8-methylnon-6-enoyl]amino]azepan-3-yl] tetradecanoate

Chemical Property:

Vapor Pressure:1.01E-28mmHg at 25°C
Boiling Point:788.3°Cat760mmHg
Flash Point:430.6°C
PSA：154.42000
Density:1.11g/cm³
LogP:4.02370
XLogP3:5.8
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:22
Exact Mass:584.40366675
Heavy Atom Count:41
Complexity:775

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCCCCCCCCCCCC(=O)OC1CCC(C(=O)NC1)NC(=O)C(C(C(C(C=CC(C)C)O)O)O)OC
Isomeric SMILES:CCCCCCCCCCCCCC(=O)OC1CCC(C(=O)NC1)NC(=O)C(C(C(C(/C=C/C(C)C)O)O)O)OC

Technology Process of [7-oxo-6-[[(E)-3,4,5-trihydroxy-2-methoxy-8-methylnon-6-enoyl]amino]azepan-3-yl] tetradecanoate

There total 3 articles about [7-oxo-6-[[(E)-3,4,5-trihydroxy-2-methoxy-8-methylnon-6-enoyl]amino]azepan-3-yl] tetradecanoate 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: 53.0%

: 144090-69-7
Tetradecanoic acid (3S,6S)-6-{(R)-2-[(4R,5S)-5-((E)-(R)-1-hydroxy-4-methyl-pent-2-enyl)-2,2-dimethyl-[1,3]dioxolan-4-yl]-2-methoxy-acetylamino}-7-oxo-azepan-3-yl ester

: 104947-68-4
BENGAMIDE A

Guidance literature:: With trifluoroacetic acid; In tetrahydrofuran; at 0 - 20 ℃;
DOI:10.1039/c39920001064

Reference yield:

: 144090-68-6
(R)-2-[(4R,5S)-5-((E)-(R)-1-Hydroxy-4-methyl-pent-2-enyl)-2,2-dimethyl-[1,3]dioxolan-4-yl]-N-((3S,6S)-6-hydroxy-2-oxo-azepan-3-yl)-2-methoxy-acetamide

: 104947-68-4
BENGAMIDE A

Guidance literature:: Multi-step reaction with 2 steps

1: 62 percent / 1-(3-dimethylaminopropyl)-3-ethylcarbodiimide hydrochloride (EDAC), 4-dimethylaminopyridine / CH₂Cl₂ / -15 - 20 °C

2: 53 percent / aq. TFA / tetrahydrofuran / 0 - 20 °C

With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; trifluoroacetic acid; In tetrahydrofuran; dichloromethane;
DOI:10.1039/c39920001064

Reference yield:

: 144090-67-5
Acetic acid (E)-(R)-1-{(4S,5R)-5-[(R)-((3S,6S)-6-hydroxy-2-oxo-azepan-3-ylcarbamoyl)-methoxy-methyl]-2,2-dimethyl-[1,3]dioxolan-4-yl}-4-methyl-pent-2-enyl ester

: 104947-68-4
BENGAMIDE A

Guidance literature:: Multi-step reaction with 3 steps

1: 97 percent / NaOMe / methanol / Ambient temperature

2: 62 percent / 1-(3-dimethylaminopropyl)-3-ethylcarbodiimide hydrochloride (EDAC), 4-dimethylaminopyridine / CH₂Cl₂ / -15 - 20 °C

3: 53 percent / aq. TFA / tetrahydrofuran / 0 - 20 °C

With dmap; sodium methylate; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; trifluoroacetic acid; In tetrahydrofuran; methanol; dichloromethane;
DOI:10.1039/c39920001064