N-(3-ethoxy-1,2-dimethoxy-10-methylsulfanyl-9-oxo-5,6,7,9-tetrahydro-benzo[a]heptalene-7-yl)-2-fluoro-3-hydroxymethylbenzamide

Base Information

Chemical Name:N-(3-ethoxy-1,2-dimethoxy-10-methylsulfanyl-9-oxo-5,6,7,9-tetrahydro-benzo[a]heptalene-7-yl)-2-fluoro-3-hydroxymethylbenzamide
CAS No.:1260236-46-1
Molecular Formula:C₂₉H₃₀FNO₆S
Molecular Weight:539.625
Hs Code.:

Synonyms:N-(3-ethoxy-1,2-dimethoxy-10-methylsulfanyl-9-oxo-5,6,7,9-tetrahydro-benzo[a]heptalene-7-yl)-2-fluoro-3-hydroxymethylbenzamide

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Chemical Property of N-(3-ethoxy-1,2-dimethoxy-10-methylsulfanyl-9-oxo-5,6,7,9-tetrahydro-benzo[a]heptalene-7-yl)-2-fluoro-3-hydroxymethylbenzamide

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Technology Process of N-(3-ethoxy-1,2-dimethoxy-10-methylsulfanyl-9-oxo-5,6,7,9-tetrahydro-benzo[a]heptalene-7-yl)-2-fluoro-3-hydroxymethylbenzamide

There total 6 articles about N-(3-ethoxy-1,2-dimethoxy-10-methylsulfanyl-9-oxo-5,6,7,9-tetrahydro-benzo[a]heptalene-7-yl)-2-fluoro-3-hydroxymethylbenzamide 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: 92.9%

: N-[(7S)-3-ethoxy-1,2-dimethoxy-10-methylsulfanyl-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]amine

: 481075-37-0
2-fluoro-3-(hydroxymethyl)benzoic acid

: 1260236-46-1
N-(3-ethoxy-1,2-dimethoxy-10-methylsulfanyl-9-oxo-5,6,7,9-tetrahydro-benzo[a]heptalene-7-yl)-2-fluoro-3-hydroxymethylbenzamide

Guidance literature:: With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In dichloromethane; at 20 ℃; for 2h;

Reference yield:

: 1583-65-9
2-fluoro-isophthalic acid

: 1260236-46-1
N-(3-ethoxy-1,2-dimethoxy-10-methylsulfanyl-9-oxo-5,6,7,9-tetrahydro-benzo[a]heptalene-7-yl)-2-fluoro-3-hydroxymethylbenzamide

Guidance literature:: Multi-step reaction with 6 steps

1.1: sulfuric acid / Reflux

2.1: potassium hydroxide / methanol / 40 h / 20 °C

2.2: 2 h / 0 °C

3.1: 4-methyl-morpholine / dichloromethane / 0.5 h / 0 °C

3.2: 1 h / 0 °C

3.3: 1 h / 20 °C

4.1: water; sodium tetrahydroborate / tetrahydrofuran / 2 h / Reflux

5.1: sodium hydroxide; water / 40 h / Reflux

5.2: 0 °C / pH 2

6.1: 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; benzotriazol-1-ol / dichloromethane / 2 h / 20 °C

With 4-methyl-morpholine; sodium tetrahydroborate; water; benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; potassium hydroxide; sodium hydroxide; sulfuric acid; In tetrahydrofuran; methanol; dichloromethane;

Reference yield:

: 914301-44-3
2-fluoroisophthalic acid monomethyl ester

: 1260236-46-1
N-(3-ethoxy-1,2-dimethoxy-10-methylsulfanyl-9-oxo-5,6,7,9-tetrahydro-benzo[a]heptalene-7-yl)-2-fluoro-3-hydroxymethylbenzamide

Guidance literature:: Multi-step reaction with 4 steps

1.1: 4-methyl-morpholine / dichloromethane / 0.5 h / 0 °C

1.2: 1 h / 0 °C

1.3: 1 h / 20 °C

2.1: water; sodium tetrahydroborate / tetrahydrofuran / 2 h / Reflux

3.1: sodium hydroxide; water / 40 h / Reflux

3.2: 0 °C / pH 2

4.1: 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; benzotriazol-1-ol / dichloromethane / 2 h / 20 °C

With 4-methyl-morpholine; sodium tetrahydroborate; water; benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; sodium hydroxide; In tetrahydrofuran; dichloromethane;