3-(3-Benzoyl-2-methyl-isothioureido)-4-(3-fluoro-benzyl)-1H-pyrrole-2-carboxylic acid methyl ester

Base Information

Chemical Name:3-(3-Benzoyl-2-methyl-isothioureido)-4-(3-fluoro-benzyl)-1H-pyrrole-2-carboxylic acid methyl ester
CAS No.:146386-23-4
Molecular Formula:C₂₂H₂₀FN₃O₃S
Molecular Weight:425.484
Hs Code.:

Synonyms:3-(3-Benzoyl-2-methyl-isothioureido)-4-(3-fluoro-benzyl)-1H-pyrrole-2-carboxylic acid methyl ester

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Chemical Property of 3-(3-Benzoyl-2-methyl-isothioureido)-4-(3-fluoro-benzyl)-1H-pyrrole-2-carboxylic acid methyl ester

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Technology Process of 3-(3-Benzoyl-2-methyl-isothioureido)-4-(3-fluoro-benzyl)-1H-pyrrole-2-carboxylic acid methyl ester

There total 8 articles about 3-(3-Benzoyl-2-methyl-isothioureido)-4-(3-fluoro-benzyl)-1H-pyrrole-2-carboxylic acid methyl ester 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: 83.0%

: 146386-09-6
3-(3-Benzoyl-thioureido)-4-(3-fluoro-benzyl)-1H-pyrrole-2-carboxylic acid methyl ester

: 74-88-4
methyl iodide

: 146386-23-4
3-(3-Benzoyl-2-methyl-isothioureido)-4-(3-fluoro-benzyl)-1H-pyrrole-2-carboxylic acid methyl ester

Guidance literature:: With DBN; In dichloromethane; at 0 - 20 ℃; for 1h;
DOI:10.1021/jm00053a008

Reference yield:

: 3-(3-fluorophenyl)-2-propenenitrile

: 146386-23-4
3-(3-Benzoyl-2-methyl-isothioureido)-4-(3-fluoro-benzyl)-1H-pyrrole-2-carboxylic acid methyl ester

Guidance literature:: Multi-step reaction with 7 steps

1: H₂ / 5percent Pd/C / ethanol / 9 h / 760 Torr

2: NaH / tetrahydrofuran / 24 h / Ambient temperature

3: AcONa / methanol; H₂O / Ambient temperature

4: 1,5-diazabicyclo<4.3.0>non-5-ene (DBN) / CH₂Cl₂ / 24 h / Ambient temperature

5: Na₂CO₃ / methanol / 24 h / Ambient temperature

6: 97 percent / CH₂Cl₂ / 1 h / Ambient temperature

7: 83 percent / 1,5-diazabicyclo<4.3.0>non-5-ene (DBN) / CH₂Cl₂ / 1 h / 0 - 20 °C

With DBN; hydrogen; sodium acetate; sodium hydride; sodium carbonate; palladium on activated charcoal; In tetrahydrofuran; methanol; ethanol; dichloromethane; water;
DOI:10.1021/jm00053a008

Reference yield:

: 456-48-4
3-Fluorobenzaldehyde

: 146386-23-4
3-(3-Benzoyl-2-methyl-isothioureido)-4-(3-fluoro-benzyl)-1H-pyrrole-2-carboxylic acid methyl ester

Guidance literature:: Multi-step reaction with 8 steps

1: ammonium acetate, pyridine / toluene / 44 h / Heating

2: H₂ / 5percent Pd/C / ethanol / 9 h / 760 Torr

3: NaH / tetrahydrofuran / 24 h / Ambient temperature

4: AcONa / methanol; H₂O / Ambient temperature

5: 1,5-diazabicyclo<4.3.0>non-5-ene (DBN) / CH₂Cl₂ / 24 h / Ambient temperature

6: Na₂CO₃ / methanol / 24 h / Ambient temperature

7: 97 percent / CH₂Cl₂ / 1 h / Ambient temperature

8: 83 percent / 1,5-diazabicyclo<4.3.0>non-5-ene (DBN) / CH₂Cl₂ / 1 h / 0 - 20 °C

With pyridine; ammonium acetate; DBN; hydrogen; sodium acetate; sodium hydride; sodium carbonate; palladium on activated charcoal; In tetrahydrofuran; methanol; ethanol; dichloromethane; water; toluene;
DOI:10.1021/jm00053a008