7-chloro-5-(2-fluorophenyl)-N-hydroxy-3H-1,4-benzodiazepine-2-carboximidothioic acid methyl ester 4-oxide

Base Information

• Chemical Name: 7-chloro-5-(2-fluorophenyl)-N-hydroxy-3H-1,4-benzodiazepine-2-carboximidothioic acid methyl ester 4-oxide
• CAS No.: 87120-56-7
• Molecular Formula: C₁₇H₁₃ClFN₃O₂S
• Molecular Weight: 377.827

Synonyms:7-chloro-5-(2-fluorophenyl)-N-hydroxy-3H-1,4-benzodiazepine-2-carboximidothioic acid methyl ester 4-oxide

Chemical Property of 7-chloro-5-(2-fluorophenyl)-N-hydroxy-3H-1,4-benzodiazepine-2-carboximidothioic acid methyl ester 4-oxide

Chemical Property:

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Technology Process of 7-chloro-5-(2-fluorophenyl)-N-hydroxy-3H-1,4-benzodiazepine-2-carboximidothioic acid methyl ester 4-oxide

There total 2 articles about 7-chloro-5-(2-fluorophenyl)-N-hydroxy-3H-1,4-benzodiazepine-2-carboximidothioic acid methyl ester 4-oxide 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: 52.5%

methylthiol (74-93-1) + 7-chloro-5-(2-fluorophenyl)-N-hydroxy-alpha-nitro-3H-1,4-benzodiazepine-2-methanimine 4-oxide (76488-36-3) → 7-chloro-5-(2-fluorophenyl)-N-hydroxy-3H-1,4-benzodiazepine-2-carboximidothioic acid methyl ester 4-oxide (87120-56-7)

Guidance literature:

With potassium tert-butylate; In tetrahydrofuran; for 1h; Ambient temperature;

DOI:10.1002/jhet.5570200313

Reference yield:

7-chloro-5-(2-fluorophenyl)-2-nitromethylene-2H-1,3-dihydro-1,4-benzodiazepine 4-oxide (60656-76-0) → 7-chloro-5-(2-fluorophenyl)-N-hydroxy-3H-1,4-benzodiazepine-2-carboximidothioic acid methyl ester 4-oxide (87120-56-7)

Guidance literature:

Multi-step reaction with 2 steps

1: 79 percent / NaNO₂ / acetic acid / 1) 70 deg C, 10 min.; 2) room temp., 0.5 h

2: 52.5 percent / (CH₃)3COK / tetrahydrofuran / 1 h / Ambient temperature

With potassium tert-butylate; sodium nitrite; In tetrahydrofuran; acetic acid;

DOI:10.1002/jhet.5570200313

Reference yield: 90.0%

7-chloro-5-(2-fluorophenyl)-N-hydroxy-3H-1,4-benzodiazepine-2-carboximidothioic acid methyl ester 4-oxide (87120-56-7) → 7-chloro-5-(2-fluorophenyl)-2,3-dihydro-N-hydroxy-1H-1,4-benzodiazepine-2-carboximidothioic acid methyl ester 4-oxide (87120-59-0)

Guidance literature:

With sodium tetrahydroborate; In tetrahydrofuran; ethanol; for 2h; Ambient temperature;

DOI:10.1002/jhet.5570200313

upstream raw materials:

methylthiol

7-chloro-5-(2-fluorophenyl)-N-hydroxy-alpha-nitro-3H-1,4-benzodiazepine-2-methanimine 4-oxide

7-chloro-5-(2-fluorophenyl)-2-nitromethylene-2H-1,3-dihydro-1,4-benzodiazepine 4-oxide

Downstream raw materials:

7-chloro-5-(2-fluorophenyl)-2,3-dihydro-N-hydroxy-1H-1,4-benzodiazepine-2-carboximidothioic acid methyl ester 4-oxide

8-chloro-6-(2-fluorophenyl)-1-methyl-3-(methylthio)-4H-imidazo<1,5-a><1,4>benzodiazepine

8-chloro-6-(2-fluorophenyl)-1-methyl-3-(methylthio)-4H-imidazo<1,5-a><1,4>benzodiazepine 5-oxide

8-chloro-6-(2-fluorophenyl)-1-methyl-3-(methylsulfonyl)-4H-imidazo<1,5-a><1,4>benzodiazepine

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