(S)-3,5-dinitro-N-[1-[2-(4-heptyloxyphenyl)ethyl]-1-hydroxymethylbutyl]benzamide

Base Information

Chemical Name:(S)-3,5-dinitro-N-[1-[2-(4-heptyloxyphenyl)ethyl]-1-hydroxymethylbutyl]benzamide
CAS No.:177258-66-1
Molecular Formula:C₂₇H₃₇N₃O₇
Molecular Weight:515.607
Hs Code.:

Synonyms:(S)-3,5-dinitro-N-[1-[2-(4-heptyloxyphenyl)ethyl]-1-hydroxymethylbutyl]benzamide

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

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Chemical Property of (S)-3,5-dinitro-N-[1-[2-(4-heptyloxyphenyl)ethyl]-1-hydroxymethylbutyl]benzamide

Chemical Property:

Purity/Quality:

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Technology Process of (S)-3,5-dinitro-N-[1-[2-(4-heptyloxyphenyl)ethyl]-1-hydroxymethylbutyl]benzamide

There total 11 articles about (S)-3,5-dinitro-N-[1-[2-(4-heptyloxyphenyl)ethyl]-1-hydroxymethylbutyl]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:

: 177259-15-3
2-amino-2-[2-(4-heptyloxyphenyl)ethyl]pentanol

: 99-33-2
3,5-dinitrobenoyl chloride

: 177259-17-5
(R)-3,5-dinitro-N-[1-[2-(4-heptyloxyphenyl)ethyl]-1-hydroxymethylbutyl]benzamide

: 177258-66-1
(S)-3,5-dinitro-N-[1-[2-(4-heptyloxyphenyl)ethyl]-1-hydroxymethylbutyl]benzamide

Guidance literature:: With potassium hydrogencarbonate; In water; ethyl acetate;
DOI:10.1016/S0960-894X(97)10188-3

Reference yield:

: 629-04-9
1-Bromoheptane

: 177258-66-1
(S)-3,5-dinitro-N-[1-[2-(4-heptyloxyphenyl)ethyl]-1-hydroxymethylbutyl]benzamide

Guidance literature:: Multi-step reaction with 12 steps

1.1: 94 percent / NaOEt / ethanol / 7 h / Heating

2.1: Et₃N / CH₂Cl₂ / 1 h / 20 °C

3.1: NaI / butan-2-one / 2 h / Heating

4.1: NaH / dimethylformamide / 0.5 h

4.2: dimethylformamide / 3 h

5.1: KOH / ethanol / 6 h / 50 °C

6.1: Et₃N / tetrahydrofuran / 0.25 h / -5 °C

7.1: aq. NaN₃ / tetrahydrofuran / 1 h / 0 °C

8.1: benzene / 1 h / Heating

9.1: benzene / 7 h / Heating

10.1: LiBH₄ / tetrahydrofuran / 3 h / Heating

11.1: 5 N aq. KOH / tetrahydrofuran; methanol / 13 h / Heating

12.1: aq. KHCO₃ / ethyl acetate / 0.25 h / 20 °C

With potassium hydroxide; lithium borohydride; sodium azide; sodium ethanolate; sodium hydride; potassium hydrogencarbonate; triethylamine; sodium iodide; In tetrahydrofuran; methanol; ethanol; dichloromethane; ethyl acetate; N,N-dimethyl-formamide; butanone; benzene; 1.1: Alkylation / 2.1: mesylation / 3.1: Iodination / 4.1: Metallation / 4.2: Alkylation / 5.1: Hydrolysis / 6.1: Acylation / 7.1: Substitution / 8.1: Curtius rearrangement / 9.1: Addition / 10.1: Reduction / 11.1: Hydrolysis / 12.1: Acylation;
DOI:10.1021/jm000173z

Reference yield:

: 104021-93-4
4-heptyloxyphenethyl alcohol

: 177258-66-1
(S)-3,5-dinitro-N-[1-[2-(4-heptyloxyphenyl)ethyl]-1-hydroxymethylbutyl]benzamide

Guidance literature:: Multi-step reaction with 11 steps

1.1: Et₃N / CH₂Cl₂ / 1 h / 20 °C

2.1: NaI / butan-2-one / 2 h / Heating

3.1: NaH / dimethylformamide / 0.5 h

3.2: dimethylformamide / 3 h

4.1: KOH / ethanol / 6 h / 50 °C

5.1: Et₃N / tetrahydrofuran / 0.25 h / -5 °C

6.1: aq. NaN₃ / tetrahydrofuran / 1 h / 0 °C

7.1: benzene / 1 h / Heating

8.1: benzene / 7 h / Heating

9.1: LiBH₄ / tetrahydrofuran / 3 h / Heating

10.1: 5 N aq. KOH / tetrahydrofuran; methanol / 13 h / Heating

11.1: aq. KHCO₃ / ethyl acetate / 0.25 h / 20 °C

With potassium hydroxide; lithium borohydride; sodium azide; sodium hydride; potassium hydrogencarbonate; triethylamine; sodium iodide; In tetrahydrofuran; methanol; ethanol; dichloromethane; ethyl acetate; N,N-dimethyl-formamide; butanone; benzene; 1.1: mesylation / 2.1: Iodination / 3.1: Metallation / 3.2: Alkylation / 4.1: Hydrolysis / 5.1: Acylation / 6.1: Substitution / 7.1: Curtius rearrangement / 8.1: Addition / 9.1: Reduction / 10.1: Hydrolysis / 11.1: Acylation;
DOI:10.1021/jm000173z