4-((1S,6R,7S)-3,5-Dioxo-2,4,8-triaza-tricyclo[5.2.1.0^2,6]dec-4-yl)-2-trifluoromethyl-benzonitrile

Base Information

• Chemical Name: 4-((1S,6R,7S)-3,5-Dioxo-2,4,8-triaza-tricyclo[5.2.1.0^2,6]dec-4-yl)-2-trifluoromethyl-benzonitrile
• CAS No.: 385440-34-6
• Molecular Formula: C₁₅H₁₁F₃N₄O₂
• Molecular Weight: 336.273

Synonyms:4-((1S,6R,7S)-3,5-Dioxo-2,4,8-triaza-tricyclo[5.2.1.0^2,6]dec-4-yl)-2-trifluoromethyl-benzonitrile

Chemical Property of 4-((1S,6R,7S)-3,5-Dioxo-2,4,8-triaza-tricyclo[5.2.1.0^2,6]dec-4-yl)-2-trifluoromethyl-benzonitrile

Chemical Property:

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Technology Process of 4-((1S,6R,7S)-3,5-Dioxo-2,4,8-triaza-tricyclo[5.2.1.0^2,6]dec-4-yl)-2-trifluoromethyl-benzonitrile

There total 8 articles about 4-((1S,6R,7S)-3,5-Dioxo-2,4,8-triaza-tricyclo[5.2.1.0^2,6]dec-4-yl)-2-trifluoromethyl-benzonitrile 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: 99.0%

(5S,8S,8aR)-4-[Octahydro-7-[(1,1-dimethylethoxy)-carbonyl]-1,3-dioxo-5,8-methanoimidazo[1,5-a]pyrazin-2-yl]-2-(trifluoromethyl)-benzonitrile (385440-33-5) → 4-((1S,6R,7S)-3,5-Dioxo-2,4,8-triaza-tricyclo[5.2.1.02,6]dec-4-yl)-2-trifluoromethyl-benzonitrile (385440-34-6)

Guidance literature:

With trifluoroacetic acid; In dichloromethane; at 22 ℃;

DOI:10.1016/j.bmcl.2004.09.049

Reference yield:

1-tert-butyl 2-methyl (2S,4R)-4-hydroxy-1,2-pyrrolidinedicarboxylate (74844-91-0) → 4-((1S,6R,7S)-3,5-Dioxo-2,4,8-triaza-tricyclo[5.2.1.02,6]dec-4-yl)-2-trifluoromethyl-benzonitrile (385440-34-6)

Guidance literature:

Multi-step reaction with 11 steps

1: 99 percent / pyridine / CH₂Cl₂

2: 100 percent / LiBH₄ / tetrahydrofuran / 22 °C

3: (COCl)2; DMSO; TEA / CH₂Cl₂ / -78 - 0 °C

4: CH₂Cl₂

5: 99 percent / DBU / 1,2-dichloro-ethane / 80 °C

6: aq. NaOH

7: HCl

8: H₂ / Pd/C / ethyl acetate

9: 1,2-dichloro-ethane / 22 °C

10: DBU / 1,2-dichloro-ethane / 2 h / 60 °C

11: 99 percent / TFA / CH₂Cl₂ / 22 °C

With pyridine; hydrogenchloride; sodium hydroxide; lithium borohydride; oxalyl dichloride; TEA; hydrogen; dimethyl sulfoxide; 1,8-diazabicyclo[5.4.0]undec-7-ene; trifluoroacetic acid; palladium on activated charcoal; In tetrahydrofuran; dichloromethane; ethyl acetate; 1,2-dichloro-ethane; 3: Swern oxidation;

DOI:10.1016/j.bmcl.2004.09.049

Reference yield:

(1S,4S)-5-Benzyl-6-cyano-2,5-diaza-bicyclo[2.2.1]heptane-2-carboxylic acid tert-butyl ester → 4-((1S,6R,7S)-3,5-Dioxo-2,4,8-triaza-tricyclo[5.2.1.02,6]dec-4-yl)-2-trifluoromethyl-benzonitrile (385440-34-6)

Guidance literature:

Multi-step reaction with 6 steps

1: aq. NaOH

2: HCl

3: H₂ / Pd/C / ethyl acetate

4: 1,2-dichloro-ethane / 22 °C

5: DBU / 1,2-dichloro-ethane / 2 h / 60 °C

6: 99 percent / TFA / CH₂Cl₂ / 22 °C

With hydrogenchloride; sodium hydroxide; hydrogen; 1,8-diazabicyclo[5.4.0]undec-7-ene; trifluoroacetic acid; palladium on activated charcoal; In dichloromethane; ethyl acetate; 1,2-dichloro-ethane;

DOI:10.1016/j.bmcl.2004.09.049

upstream raw materials:

(5S,8S,8aR)-4-[Octahydro-7-[(1,1-dimethylethoxy)-carbonyl]-1,3-dioxo-5,8-methanoimidazo[1,5-a]pyrazin-2-yl]-2-(trifluoromethyl)-benzonitrile

1-tert-butyl 2-methyl (2S,4R)-4-hydroxy-1,2-pyrrolidinedicarboxylate

(2S,4R)-2-Formyl-4-(toluene-4-sulfonyloxy)-pyrrolidine-1-carboxylic acid tert-butyl ester

(2S-trans)-2-[cyano[(phenylmethyl)amino]methyl]-4-[[(4-methylphenyl)-sulfonyl]oxy]-1-pyrrolidinecarboxylic acid, 1,1-dimethylethyl ester

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