N-[(2,2-Dimethylcyclopentyl)methyl]-4-[(hydroxyamino)iminomethyl]benzamide

Base Information

Chemical Name:N-[(2,2-Dimethylcyclopentyl)methyl]-4-[(hydroxyamino)iminomethyl]benzamide
CAS No.:381665-70-9
Molecular Formula:C₁₆H₂₃N₃O₂
Molecular Weight:289.378
Hs Code.:
DSSTox Substance ID:DTXSID901145626

Synonyms:DTXSID901145626;N-[(2,2-Dimethylcyclopentyl)methyl]-4-[(hydroxyamino)iminomethyl]benzamide;381665-70-9

Suppliers and Price of N-[(2,2-Dimethylcyclopentyl)methyl]-4-[(hydroxyamino)iminomethyl]benzamide

Supply Marketing:

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

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Chemical Property of N-[(2,2-Dimethylcyclopentyl)methyl]-4-[(hydroxyamino)iminomethyl]benzamide

Chemical Property:

XLogP3:3
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:289.17902698
Heavy Atom Count:21
Complexity:398

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC1(CCCC1CNC(=O)C2=CC=C(C=C2)C(=NO)N)C
Isomeric SMILES:CC1(CCCC1CNC(=O)C2=CC=C(C=C2)/C(=N/O)/N)C

Technology Process of N-[(2,2-Dimethylcyclopentyl)methyl]-4-[(hydroxyamino)iminomethyl]benzamide

There total 1 articles about N-[(2,2-Dimethylcyclopentyl)methyl]-4-[(hydroxyamino)iminomethyl]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: 100.0%

: 212380-85-3
4-(cyano)-N-[(2,2-dimethylcyclopentyl)methyl]benzamide

: 381665-70-9
[4-amino(hydroxyimino)methyl]-N-(2,2-dimethylcyclopentylmethyl)benzamide

Guidance literature:: With hydroxylamine hydrochloride; sodium ethanolate; In ethanol; water; at 20 ℃; for 48h;
DOI:10.1021/jm015505u

Reference yield: 22.4%

: 371-26-6
ethyl 4,4,4-trifluorobutanoate

: 381665-70-9
[4-amino(hydroxyimino)methyl]-N-(2,2-dimethylcyclopentylmethyl)benzamide

: (+)-N-[(2,2-dimethylcyclopentyl)methyl]-4-[5-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole-3-yl]benzamide

: (-)-N-[(2,2-dimethylcyclopentyl)methyl]-4-[5-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole-3-yl]benzamide

Guidance literature:: With sodium hydride; In N,N-dimethyl-formamide; at 20 ℃; for 16h; optical resolution by chiral HPLC;
DOI:10.1021/jm015505u

Reference yield:

: 381665-70-9
[4-amino(hydroxyimino)methyl]-N-(2,2-dimethylcyclopentylmethyl)benzamide

: (+)-N-[(2,2-dimethylcyclopentyl)methyl]-4-[5-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole-3-yl]benzamide

Guidance literature:: Multi-step reaction with 2 steps

1: 1-[3-(dimethylamino)propyl]-3-ethylcarbodiimide hydrochloride; HOBt

2: Cs₂CO₃ / optical resolution by chiral HPLC

With benzotriazol-1-ol; caesium carbonate; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride;
DOI:10.1021/jm015505u