Propanoic acid, 2,2-dimethyl-, 2-(2-(diethylamino)ethyl)-2,6-dihydro-5-nitropyrazolo(3,4,5-kl)acridin-9-yl ester

Base Information

Chemical Name:Propanoic acid, 2,2-dimethyl-, 2-(2-(diethylamino)ethyl)-2,6-dihydro-5-nitropyrazolo(3,4,5-kl)acridin-9-yl ester
CAS No.:99008-87-4
Molecular Formula:C₂₄H₂₉N₅O₄
Molecular Weight:451.525
Hs Code.:
DSSTox Substance ID:DTXSID90912901
Nikkaji Number:J527.730B
Wikidata:Q82883352
ChEMBL ID:CHEMBL323823

Synonyms:BRN 5914199;PD 117,469;99008-87-4;Propanoic acid, 2,2-dimethyl-, 2-(2-(diethylamino)ethyl)-2,6-dihydro-5-nitropyrazolo(3,4,5-kl)acridin-9-yl ester;CHEMBL323823;SCHEMBL10861447;DTXSID90912901;C24H29N5O4;C24-H29-N5-O4;LS-121409;2,2-Dimethylpropanoic acid [2-[2-(diethylamino)ethyl]-5-nitro-2,6-dihydropyrazolo[3,4,5-kl]acridin]-9-yl ester;2-[2-(Diethylamino)ethyl]-5-nitro-1,2-dihydropyrazolo[3,4,5-kl]acridin-9-yl 2,2-dimethylpropanoate

Suppliers and Price of Propanoic acid, 2,2-dimethyl-, 2-(2-(diethylamino)ethyl)-2,6-dihydro-5-nitropyrazolo(3,4,5-kl)acridin-9-yl ester

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 Propanoic acid, 2,2-dimethyl-, 2-(2-(diethylamino)ethyl)-2,6-dihydro-5-nitropyrazolo(3,4,5-kl)acridin-9-yl ester

Chemical Property:

Vapor Pressure:4.42E-16mmHg at 25°C
Boiling Point:636.1°Cat760mmHg
Flash Point:338.5°C
Density:1.256g/cm³
XLogP3:4.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:8
Exact Mass:451.22195442
Heavy Atom Count:33
Complexity:719

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCN(CC)CCN1C2=C3C(=C(C=C2)[N+](=O)[O-])NC4=C(C3=N1)C=C(C=C4)OC(=O)C(C)(C)C

Technology Process of Propanoic acid, 2,2-dimethyl-, 2-(2-(diethylamino)ethyl)-2,6-dihydro-5-nitropyrazolo(3,4,5-kl)acridin-9-yl ester

There total 8 articles about Propanoic acid, 2,2-dimethyl-, 2-(2-(diethylamino)ethyl)-2,6-dihydro-5-nitropyrazolo(3,4,5-kl)acridin-9-yl ester 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: 69.0%

: 3282-30-2
pivaloyl chloride

: 99008-65-8
2-[2-(diethylamino)ethyl]-2,6-dihydro-5-nitropyrazolo[3,4,5-kl]acridine-9-ol

: 99008-87-4
2,2-dimethylpropanoic acid 2-[2-(diethylamino)ethyl]-2,6-dihydro-5-nitropyrazolo[3,4,5-kl]acridine-9-yl ester

Guidance literature:: With N-ethyl-N,N-diisopropylamine; In dichloromethane; for 90h; Ambient temperature;
DOI:10.1021/jm00104a001

Reference yield:

: 924-29-8
N-[2-(diethylamino)ethyl]hydrazine

: 99008-87-4
2,2-dimethylpropanoic acid 2-[2-(diethylamino)ethyl]-2,6-dihydro-5-nitropyrazolo[3,4,5-kl]acridine-9-yl ester

Guidance literature:: Multi-step reaction with 2 steps

1: tetrahydrofuran; methanol / 24 h / Ambient temperature

2: 69 percent / N,N-diisopropylethylamine / CH₂Cl₂ / 90 h / Ambient temperature

With N-ethyl-N,N-diisopropylamine; In tetrahydrofuran; methanol; dichloromethane;
DOI:10.1021/jm00104a001

Reference yield:

: 55775-97-8
2,6-dichloro-3-nitrobenzoic acid

: 99008-87-4
2,2-dimethylpropanoic acid 2-[2-(diethylamino)ethyl]-2,6-dihydro-5-nitropyrazolo[3,4,5-kl]acridine-9-yl ester

Guidance literature:: Multi-step reaction with 5 steps

1: 47 percent / N,N-dimethylaniline, N,N-diisopropylethylamine / 18 h / Heating

2: 62 percent / N,N-dimethylaniline, POCl₃ / CHCl₃ / 1.5 h / Heating

3: 84 percent / methanesulfonic acid / acetic acid / 8 h / Heating

4: tetrahydrofuran; methanol / 24 h / Ambient temperature

5: 69 percent / N,N-diisopropylethylamine / CH₂Cl₂ / 90 h / Ambient temperature

With methanesulfonic acid; N,N-dimethyl-aniline; N-ethyl-N,N-diisopropylamine; trichlorophosphate; In tetrahydrofuran; methanol; dichloromethane; chloroform; acetic acid;
DOI:10.1021/jm00104a001