5-N-Acetylardeemin

Base Information

Chemical Name:5-N-Acetylardeemin
CAS No.:148441-26-3
Molecular Formula:C₂₈H₂₈N₄O₃
Molecular Weight:468.555
Hs Code.:
Nikkaji Number:J984.541K
Wikidata:Q77420080
Metabolomics Workbench ID:111299
ChEMBL ID:CHEMBL3402065
Mol file:148441-26-3.mol

Synonyms:5-N-acetylardeemin

Suppliers and Price of 5-N-Acetylardeemin

Supply Marketing:

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

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

American Custom Chemicals Corporation
5-N-ACETYLARDEEMIN 95.00%
5MG
$ 502.23

Total 5 raw suppliers

Chemical Property of 5-N-Acetylardeemin

Chemical Property:

Vapor Pressure:1.6E-19mmHg at 25°C
Boiling Point:701.4°Cat760mmHg
Flash Point:378°C
PSA：75.51000
Density:1.35g/cm³
LogP:4.09020
XLogP3:3.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:468.21614077
Heavy Atom Count:35
Complexity:1020

Purity/Quality:

99%, ^*data from raw suppliers

5-N-ACETYLARDEEMIN 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1C(=O)N2C(CC3(C2N(C4=CC=CC=C43)C(=O)C)C(C)(C)C=C)C5=NC6=CC=CC=C6C(=O)N15
Isomeric SMILES:C[C@@H]1C(=O)N2[C@@H](C[C@@]3([C@H]2N(C4=CC=CC=C43)C(=O)C)C(C)(C)C=C)C5=NC6=CC=CC=C6C(=O)N15

Technology Process of 5-N-Acetylardeemin

There total 24 articles about 5-N-Acetylardeemin 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: 88.0%

: 108-24-7
acetic anhydride

: 148441-25-2
(-)-ardeemin

: 148441-26-3
5-N-acetylardeemin

Guidance literature:: With N-ethyl-N,N-diisopropylamine; at 60 ℃; for 24h; Product distribution / selectivity;

Reference yield: 80.0%

: 75-36-5
acetyl chloride

: 148441-25-2
(-)-ardeemin

: 148441-26-3
5-N-acetylardeemin

Guidance literature:: (-)-ardeemin; With lithium diisopropyl amide; In tetrahydrofuran; hexane; at -78 - 20 ℃; for 0.0833333h;

acetyl chloride; In tetrahydrofuran; hexane; at -78 - 20 ℃; for 0.5h; Product distribution / selectivity; Heating / reflux;

Reference yield:

: 96238-68-5
tert-butyl (+)-(S)-3-[2-(tert-butoxycarbonylamino)-3-methoxy-3-oxopropyl]-1H-indole-1-carboxylate

: 148441-26-3
5-N-acetylardeemin

Guidance literature:: Multi-step reaction with 10 steps

1: 93 percent / PPTS / CH₂Cl₂

2: 57 percent / MeOTf; 2,6-di-(tert-butyl)pyridine / CH₂Cl₂

3: aq. NaOH / methanol; tetrahydrofuran / Heating

4: 93 percent / cyanuric fluoride; pyridine / CH₂Cl₂ / -15 °C

5: 71 percent / NaHCO₃ / CH₂Cl₂; H₂O

6: 86 percent / TMSI / acetonitrile / 0 °C

7: 70 percent / NH₃; DMAP / methanol

8: 80 percent / KHMDS / tetrahydrofuran / -78 °C

9: 90 percent / P(n-Bu)3 / benzene

10: 85 percent / Huenig's base / 36 h / 60 °C

With pyridine; dmap; sodium hydroxide; trifluoro-[1,3,5]triazine; 2,6-di-tert-butyl-pyridine; trimethylsilyl iodide; tributylphosphine; ammonia; pyridinium p-toluenesulfonate; potassium hexamethylsilazane; sodium hydrogencarbonate; N-ethyl-N,N-diisopropylamine; methyl trifluoromethanesulfonate; In tetrahydrofuran; methanol; dichloromethane; water; acetonitrile; benzene; 1: Condensation / 2: prenylation / 3: Hydrolysis / 4: Substitution / 5: Condensation / 6: deprotection / 7: Cyclization / 8: Acylation / 9: aza-Wittig-like reaction / 10: Acylation;
DOI:10.1021/ja991558d