cyclopropanesulfonic acid [13-methyl-2,14-dioxo-17-(2-phenylpyrimidin-4-yloxy)-3,13-diaza-tricyclo[13.3.0.0*4,6*]octadec-7-ene-4-carbonyl]-amide

Base Information

• Chemical Name: cyclopropanesulfonic acid [13-methyl-2,14-dioxo-17-(2-phenylpyrimidin-4-yloxy)-3,13-diaza-tricyclo[13.3.0.0*4,6*]octadec-7-ene-4-carbonyl]-amide
• CAS No.: 1044558-84-0
• Molecular Formula: C₃₁H₃₇N₅O₆S
• Molecular Weight: 607.731
• Mol file: 1044558-84-0.mol

Synonyms:cyclopropanesulfonic acid [13-methyl-2,14-dioxo-17-(2-phenylpyrimidin-4-yloxy)-3,13-diaza-tricyclo[13.3.0.0*4,6*]octadec-7-ene-4-carbonyl]-amide

Chemical Property of cyclopropanesulfonic acid [13-methyl-2,14-dioxo-17-(2-phenylpyrimidin-4-yloxy)-3,13-diaza-tricyclo[13.3.0.0*4,6*]octadec-7-ene-4-carbonyl]-amide

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of cyclopropanesulfonic acid [13-methyl-2,14-dioxo-17-(2-phenylpyrimidin-4-yloxy)-3,13-diaza-tricyclo[13.3.0.0*4,6*]octadec-7-ene-4-carbonyl]-amide

There total 10 articles about cyclopropanesulfonic acid [13-methyl-2,14-dioxo-17-(2-phenylpyrimidin-4-yloxy)-3,13-diaza-tricyclo[13.3.0.0*4,6*]octadec-7-ene-4-carbonyl]-amide 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: 16.0%

N-(1-cyclopropanesulfonylaminocarbonyl-2-vinyl-cyclopropyl)-2-(hex-5-enyl-methyl-amino-carbonyl)-4-(2-phenylpyrimidin-4-yloxy)-cyclopentane-carboxamide (1044560-20-4) → cyclopropanesulfonic acid [13-methyl-2,14-dioxo-17-(2-phenylpyrimidin-4-yloxy)-3,13-diaza-tricyclo[13.3.0.0*4,6*]octadec-7-ene-4-carbonyl]-amide (1044558-84-0)

Guidance literature:

dichloro(tricyclohexylphosphino)(benzylidene)(1,3-dimesityl-4,5-dihydroimidazol-2-ylidene)ruthenium(III); at 150 ℃; for 0.166667h; microwave irradiation;

Reference yield:

trans-(3R,4R)-3,4-bis(methoxycarbonyl)cyclopentanol (862259-02-7) → cyclopropanesulfonic acid [13-methyl-2,14-dioxo-17-(2-phenylpyrimidin-4-yloxy)-3,13-diaza-tricyclo[13.3.0.0*4,6*]octadec-7-ene-4-carbonyl]-amide (1044558-84-0)

Guidance literature:

Multi-step reaction with 9 steps

1.1: methanol; sodium hydroxide; water / 4 h / 20 °C

1.3: 20 °C

2.1: N-ethyl-N,N-diisopropylamine; HATU / dichloromethane; N,N-dimethyl-formamide / 1 h / 20 °C

3.1: water / 0.68 h / 100 °C / microwave irradiation

4.1: N-ethyl-N,N-diisopropylamine; HATU / dichloromethane; N,N-dimethyl-formamide / 1 h / 20 °C

5.1: lithium hydroxide; water / N,N-dimethyl-formamide / 0.5 h / 130 °C / microwave irradiation

5.2: 40 °C / pH 2

6.1: 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride / dichloromethane; N,N-dimethyl-formamide / 0.17 h / 20 °C

6.2: 0.33 h / 20 °C

6.3: 0.5 h / 100 °C / microwave irradiation

7.1: sodium hydride / N,N-dimethyl-formamide / 0.5 h / 0 °C

7.2: 2 h / 0 °C

8.1: bis-triphenylphosphine-palladium(II) chloride / 0.33 h / 120 °C / microwave irradiation

9.1: dichloro(tricyclohexylphosphino)(benzylidene)(1,3-dimesityl-4,5-dihydroimidazol-2-ylidene)ruthenium(III) / 0.17 h / 150 °C / microwave irradiation

With methanol; lithium hydroxide; sodium hydroxide; water; sodium hydride; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine; HATU; bis-triphenylphosphine-palladium(II) chloride; dichloro(tricyclohexylphosphino)(benzylidene)(1,3-dimesityl-4,5-dihydroimidazol-2-ylidene)ruthenium(III); In dichloromethane; water; N,N-dimethyl-formamide;

Reference yield:

(1R,4R,5R)-3-oxo-2-oxabicyclo[2.2.1]heptane-5-carboxylic acid (862174-60-5) → cyclopropanesulfonic acid [13-methyl-2,14-dioxo-17-(2-phenylpyrimidin-4-yloxy)-3,13-diaza-tricyclo[13.3.0.0*4,6*]octadec-7-ene-4-carbonyl]-amide (1044558-84-0)

Guidance literature:

Multi-step reaction with 8 steps

1.1: N-ethyl-N,N-diisopropylamine; HATU / dichloromethane; N,N-dimethyl-formamide / 1 h / 20 °C

2.1: water / 0.68 h / 100 °C / microwave irradiation

3.1: N-ethyl-N,N-diisopropylamine; HATU / dichloromethane; N,N-dimethyl-formamide / 1 h / 20 °C

4.1: lithium hydroxide; water / N,N-dimethyl-formamide / 0.5 h / 130 °C / microwave irradiation

4.2: 40 °C / pH 2

5.1: 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride / dichloromethane; N,N-dimethyl-formamide / 0.17 h / 20 °C

5.2: 0.33 h / 20 °C

5.3: 0.5 h / 100 °C / microwave irradiation

6.1: sodium hydride / N,N-dimethyl-formamide / 0.5 h / 0 °C

6.2: 2 h / 0 °C

7.1: bis-triphenylphosphine-palladium(II) chloride / 0.33 h / 120 °C / microwave irradiation

8.1: dichloro(tricyclohexylphosphino)(benzylidene)(1,3-dimesityl-4,5-dihydroimidazol-2-ylidene)ruthenium(III) / 0.17 h / 150 °C / microwave irradiation

With lithium hydroxide; water; sodium hydride; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine; HATU; bis-triphenylphosphine-palladium(II) chloride; dichloro(tricyclohexylphosphino)(benzylidene)(1,3-dimesityl-4,5-dihydroimidazol-2-ylidene)ruthenium(III); In dichloromethane; water; N,N-dimethyl-formamide;

upstream raw materials:

N-(1-cyclopropanesulfonylaminocarbonyl-2-vinyl-cyclopropyl)-2-(hex-5-enyl-methyl-amino-carbonyl)-4-(2-phenylpyrimidin-4-yloxy)-cyclopentane-carboxamide

(1R,4R,5R)-3-oxo-2-oxabicyclo[2.2.1]heptane-5-carboxylic acid

trans-(3R,4R)-3,4-bis(methoxycarbonyl)cyclopentanol

(1R,2S)-1-[((1R,4R,5R)-3-oxo-2-oxa-bicyclo[2.2.1]heptane-5-carbonyl)-amino]-2-vinyl-cyclopropane carboxylic acid ethyl ester