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(E)-N-[(18Z)-6-(2-amino-2-oxoethyl)-12-benzyl-9-(1-hydroxyethyl)-3-(hydroxymethyl)-18-[(4-hydroxyphenyl)methylidene]-19,22-dimethyl-15-(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-1-oxa-4,7,10,13,16,19-hexazacyclodocos-21-yl]-3-[2-[(E)-pent-1-enyl]phenyl]prop-2-enamide

Base Information Edit
  • Chemical Name:(E)-N-[(18Z)-6-(2-amino-2-oxoethyl)-12-benzyl-9-(1-hydroxyethyl)-3-(hydroxymethyl)-18-[(4-hydroxyphenyl)methylidene]-19,22-dimethyl-15-(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-1-oxa-4,7,10,13,16,19-hexazacyclodocos-21-yl]-3-[2-[(E)-pent-1-enyl]phenyl]prop-2-enamide
  • CAS No.:125774-71-2
  • Molecular Formula:C54H68N8O13
  • Molecular Weight:1037.18
  • Hs Code.:
  • Mol file:125774-71-2.mol
(E)-N-[(18Z)-6-(2-amino-2-oxoethyl)-12-benzyl-9-(1-hydroxyethyl)-3-(hydroxymethyl)-18-[(4-hydroxyphenyl)methylidene]-19,22-dimethyl-15-(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-1-oxa-4,7,10,13,16,19-hexazacyclodocos-21-yl]-3-[2-[(E)-pent-1-enyl]phenyl]prop-2-enamide

Synonyms:L-Serine, N-(N2-(N-(N-(N-((E)-alpha,beta-didehydro-N-methyl-N-(N-(1-oxo-3-(2-(1-pentenyl)phenyl)-2-propenyl)-L-threonyl)tyrosyl)-L-leucyl)-D-phenylalanyl)-L-allothreonyl)-L-asparaginyl)-, upsilon-lactone, (E,Z)-;WS 9326A;WS-9326A;WS9326A

Suppliers and Price of (E)-N-[(18Z)-6-(2-amino-2-oxoethyl)-12-benzyl-9-(1-hydroxyethyl)-3-(hydroxymethyl)-18-[(4-hydroxyphenyl)methylidene]-19,22-dimethyl-15-(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-1-oxa-4,7,10,13,16,19-hexazacyclodocos-21-yl]-3-[2-[(E)-pent-1-enyl]phenyl]prop-2-enamide
Supply Marketing:Edit
Business phase:
The product has achieved commercial mass production*data from LookChem market partment
Manufacturers and distributors:
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Total 1 raw suppliers
Chemical Property of (E)-N-[(18Z)-6-(2-amino-2-oxoethyl)-12-benzyl-9-(1-hydroxyethyl)-3-(hydroxymethyl)-18-[(4-hydroxyphenyl)methylidene]-19,22-dimethyl-15-(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-1-oxa-4,7,10,13,16,19-hexazacyclodocos-21-yl]-3-[2-[(E)-pent-1-enyl]phenyl]prop-2-enamide Edit
Chemical Property:
  • Vapor Pressure:0mmHg at 25°C 
  • Boiling Point:1437.8°C at 760 mmHg 
  • Flash Point:823.4°C 
  • Density:1.33g/cm3 
  • XLogP3:4.6
  • Hydrogen Bond Donor Count:10
  • Hydrogen Bond Acceptor Count:13
  • Rotatable Bond Count:15
  • Exact Mass:1036.49058425
  • Heavy Atom Count:75
  • Complexity:2070
Purity/Quality:

98%min *data from raw suppliers

Safty Information:
  • Pictogram(s):  
  • Hazard Codes: 
MSDS Files:

SDS file from LookChem

Useful:
  • Canonical SMILES:CCCC=CC1=CC=CC=C1C=CC(=O)NC2C(OC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(=CC3=CC=C(C=C3)O)N(C2=O)C)CC(C)C)CC4=CC=CC=C4)C(C)O)CC(=O)N)CO)C
  • Isomeric SMILES:CCC/C=C/C1=CC=CC=C1/C=C/C(=O)NC2C(OC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)/C(=C/C3=CC=C(C=C3)O)/N(C2=O)C)CC(C)C)CC4=CC=CC=C4)C(C)O)CC(=O)N)CO)C
Technology Process of (E)-N-[(18Z)-6-(2-amino-2-oxoethyl)-12-benzyl-9-(1-hydroxyethyl)-3-(hydroxymethyl)-18-[(4-hydroxyphenyl)methylidene]-19,22-dimethyl-15-(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-1-oxa-4,7,10,13,16,19-hexazacyclodocos-21-yl]-3-[2-[(E)-pent-1-enyl]phenyl]prop-2-enamide

There total 35 articles about (E)-N-[(18Z)-6-(2-amino-2-oxoethyl)-12-benzyl-9-(1-hydroxyethyl)-3-(hydroxymethyl)-18-[(4-hydroxyphenyl)methylidene]-19,22-dimethyl-15-(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-1-oxa-4,7,10,13,16,19-hexazacyclodocos-21-yl]-3-[2-[(E)-pent-1-enyl]phenyl]prop-2-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:
Guidance literature:
Multi-step reaction with 24 steps
1: KOH / ethanol / 19 h / Ambient temperature
2: 1 N aq. NaOH / 0.33 h / 90 °C
3: 85 percent / BSA / CH2Cl2 / 5 h / 0 - 20 °C
4: 32.1 percent / diethyl ether; ethyl acetate / 0.17 h
5: 93.6 percent / Et3N, DMAP / CH2Cl2 / 16 h / Ambient temperature
6: 72.1 percent / thiophenol, TFA / CH2Cl2 / 0.5 h / 0 °C
7: 49.1 percent / 2-ethoxy-N-ethoxycarbonyl-1,2-dihydroquinoline / CH2Cl2 / 14 h / Ambient temperature
8: DBU / toluene / 2.5 h / Ambient temperature
9: 98 percent / imidazole / dimethylformamide / 16 h / Ambient temperature
10: 87.3 percent / NaOH / methanol / 48 h / 30 °C
11: 32.6 percent / Et3N, EEDQ / CH2Cl2 / 33 h / Ambient temperature
12: 21.2 percent / acetone; toluene / 1.5 h / 0 °C / Irradiation
13: 99.9 percent / 67percent AcOH / 28 h / 25 °C
14: 86.5 percent / EDC*HCl, DMAP / CH2Cl2 / 12 h / Ambient temperature
15: 4 N HCl, anisole / dioxane / 0.5 h / Ambient temperature
16: Et3N, HOBT, EDC*HCl / CH2Cl2 / 1 h / Ambient temperature
17: 4 N HCl, anisole / dioxane / 0.5 h / Ambient temperature
18: Et3N, HOBT, EDC*HCl / CH2Cl2 / 8 h / Ambient temperature
19: 82.6 percent / Zn, 90percent AcOH / Ambient temperature
20: EDC*HCl / CH2Cl2; dimethylformamide / Ambient temperature
21: TFA, anisole / 0.5 h / Ambient temperature
22: pyridine / dimethylformamide / 16 h / Ambient temperature
23: 74.9 percent / HF, pyridine, anisole / 1 h / Ambient temperature
24: 2.7 percent / BSA, DMAP / CH2Cl2; dimethylformamide / Ambient temperature
With pyridine; 1H-imidazole; hydrogenchloride; benzenesulfonamide; dmap; potassium hydroxide; sodium hydroxide; hydrogen fluoride; benzotriazol-1-ol; acetic acid; thiophenol; methoxybenzene; 1,8-diazabicyclo[5.4.0]undec-7-ene; N-ethoxycarbonyl-2-ethoxy-1,2-dihydroquinoline; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine; trifluoroacetic acid; zinc; In 1,4-dioxane; methanol; diethyl ether; ethanol; dichloromethane; ethyl acetate; N,N-dimethyl-formamide; acetone; toluene;
DOI:10.1248/cpb.45.236
Guidance literature:
Multi-step reaction with 25 steps
1: 88.7 percent / Et3N / tetrahydrofuran / 1 h / Ambient temperature
2: KOH / ethanol / 19 h / Ambient temperature
3: 1 N aq. NaOH / 0.33 h / 90 °C
4: 85 percent / BSA / CH2Cl2 / 5 h / 0 - 20 °C
5: 32.1 percent / diethyl ether; ethyl acetate / 0.17 h
6: 93.6 percent / Et3N, DMAP / CH2Cl2 / 16 h / Ambient temperature
7: 72.1 percent / thiophenol, TFA / CH2Cl2 / 0.5 h / 0 °C
8: 49.1 percent / 2-ethoxy-N-ethoxycarbonyl-1,2-dihydroquinoline / CH2Cl2 / 14 h / Ambient temperature
9: DBU / toluene / 2.5 h / Ambient temperature
10: 98 percent / imidazole / dimethylformamide / 16 h / Ambient temperature
11: 87.3 percent / NaOH / methanol / 48 h / 30 °C
12: 32.6 percent / Et3N, EEDQ / CH2Cl2 / 33 h / Ambient temperature
13: 21.2 percent / acetone; toluene / 1.5 h / 0 °C / Irradiation
14: 99.9 percent / 67percent AcOH / 28 h / 25 °C
15: 86.5 percent / EDC*HCl, DMAP / CH2Cl2 / 12 h / Ambient temperature
16: 4 N HCl, anisole / dioxane / 0.5 h / Ambient temperature
17: Et3N, HOBT, EDC*HCl / CH2Cl2 / 1 h / Ambient temperature
18: 4 N HCl, anisole / dioxane / 0.5 h / Ambient temperature
19: Et3N, HOBT, EDC*HCl / CH2Cl2 / 8 h / Ambient temperature
20: 82.6 percent / Zn, 90percent AcOH / Ambient temperature
21: EDC*HCl / CH2Cl2; dimethylformamide / Ambient temperature
22: TFA, anisole / 0.5 h / Ambient temperature
23: pyridine / dimethylformamide / 16 h / Ambient temperature
24: 74.9 percent / HF, pyridine, anisole / 1 h / Ambient temperature
25: 2.7 percent / BSA, DMAP / CH2Cl2; dimethylformamide / Ambient temperature
With pyridine; 1H-imidazole; hydrogenchloride; benzenesulfonamide; dmap; potassium hydroxide; sodium hydroxide; hydrogen fluoride; benzotriazol-1-ol; acetic acid; thiophenol; methoxybenzene; 1,8-diazabicyclo[5.4.0]undec-7-ene; N-ethoxycarbonyl-2-ethoxy-1,2-dihydroquinoline; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine; trifluoroacetic acid; zinc; In tetrahydrofuran; 1,4-dioxane; methanol; diethyl ether; ethanol; dichloromethane; ethyl acetate; N,N-dimethyl-formamide; acetone; toluene;
DOI:10.1248/cpb.45.236
Guidance literature:
Multi-step reaction with 23 steps
1: 1 N aq. NaOH / 0.33 h / 90 °C
2: 85 percent / BSA / CH2Cl2 / 5 h / 0 - 20 °C
3: 32.1 percent / diethyl ether; ethyl acetate / 0.17 h
4: 93.6 percent / Et3N, DMAP / CH2Cl2 / 16 h / Ambient temperature
5: 72.1 percent / thiophenol, TFA / CH2Cl2 / 0.5 h / 0 °C
6: 49.1 percent / 2-ethoxy-N-ethoxycarbonyl-1,2-dihydroquinoline / CH2Cl2 / 14 h / Ambient temperature
7: DBU / toluene / 2.5 h / Ambient temperature
8: 98 percent / imidazole / dimethylformamide / 16 h / Ambient temperature
9: 87.3 percent / NaOH / methanol / 48 h / 30 °C
10: 32.6 percent / Et3N, EEDQ / CH2Cl2 / 33 h / Ambient temperature
11: 21.2 percent / acetone; toluene / 1.5 h / 0 °C / Irradiation
12: 99.9 percent / 67percent AcOH / 28 h / 25 °C
13: 86.5 percent / EDC*HCl, DMAP / CH2Cl2 / 12 h / Ambient temperature
14: 4 N HCl, anisole / dioxane / 0.5 h / Ambient temperature
15: Et3N, HOBT, EDC*HCl / CH2Cl2 / 1 h / Ambient temperature
16: 4 N HCl, anisole / dioxane / 0.5 h / Ambient temperature
17: Et3N, HOBT, EDC*HCl / CH2Cl2 / 8 h / Ambient temperature
18: 82.6 percent / Zn, 90percent AcOH / Ambient temperature
19: EDC*HCl / CH2Cl2; dimethylformamide / Ambient temperature
20: TFA, anisole / 0.5 h / Ambient temperature
21: pyridine / dimethylformamide / 16 h / Ambient temperature
22: 74.9 percent / HF, pyridine, anisole / 1 h / Ambient temperature
23: 2.7 percent / BSA, DMAP / CH2Cl2; dimethylformamide / Ambient temperature
With pyridine; 1H-imidazole; hydrogenchloride; benzenesulfonamide; dmap; sodium hydroxide; hydrogen fluoride; benzotriazol-1-ol; acetic acid; thiophenol; methoxybenzene; 1,8-diazabicyclo[5.4.0]undec-7-ene; N-ethoxycarbonyl-2-ethoxy-1,2-dihydroquinoline; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine; trifluoroacetic acid; zinc; In 1,4-dioxane; methanol; diethyl ether; dichloromethane; ethyl acetate; N,N-dimethyl-formamide; acetone; toluene;
DOI:10.1248/cpb.45.236
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