Benzamide, N-[[[2-(1-cyanoethyl)phenyl]methylamino]thioxomethyl]-

Base Information

• Chemical Name: Benzamide, N-[[[2-(1-cyanoethyl)phenyl]methylamino]thioxomethyl]-
• CAS No.: 88975-74-0
• Molecular Formula: C₁₈H₁₇N₃OS
• Molecular Weight: 323.418
• Mol file: 88975-74-0.mol

Synonyms:

Chemical Property of Benzamide, N-[[[2-(1-cyanoethyl)phenyl]methylamino]thioxomethyl]-

Chemical Property:

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of Benzamide, N-[[[2-(1-cyanoethyl)phenyl]methylamino]thioxomethyl]-

There total 8 articles about Benzamide, N-[[[2-(1-cyanoethyl)phenyl]methylamino]thioxomethyl]- 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: 70.0%

benzoyl chloride (98-88-4) + 2-(2-methylaminophenyl)propionitrile (88975-27-3) → 3-Benzoyl-1-[2-(cyano-methyl-methyl)-phenyl]-1-methyl-thiourea (88975-74-0)

Guidance literature:

With ammonium thiocyanate; In acetone; for 1h; Ambient temperature;

DOI:10.1248/cpb.31.3424

Reference yield:

(+/-)-ethyl cyano(2-nitrophenyl)acetate (65548-02-9) → 3-Benzoyl-1-[2-(cyano-methyl-methyl)-phenyl]-1-methyl-thiourea (88975-74-0)

Guidance literature:

Multi-step reaction with 7 steps

1: 63.4 percent / K₂CO₃ / acetone / 5 h / Heating

2: 82.9 percent / K₂CO₃ / aq. ethanol / 18 h / Heating

3: 89.8 percent / H₂ / 5percent Pd-C / ethanol

4: 99.3 percent / CH₂Cl₂ / 1 h / Ambient temperature

5: 11.0 g / Na₂CO₃ / dimethylformamide / 2.5 h / Ambient temperature

6: 4.8percent aq. NaOH / benzene; dimethylformamide; H₂O / 1 h / 8 °C

7: 70 percent / NH₄SCN / acetone / 1 h / Ambient temperature

With sodium hydroxide; hydrogen; ammonium thiocyanate; sodium carbonate; potassium carbonate; palladium on activated charcoal; In ethanol; dichloromethane; water; N,N-dimethyl-formamide; acetone; benzene;

DOI:10.1248/cpb.31.3424

Reference yield:

2-Chloronitrobenzene (88-73-3) → 3-Benzoyl-1-[2-(cyano-methyl-methyl)-phenyl]-1-methyl-thiourea (88975-74-0)

Guidance literature:

Multi-step reaction with 8 steps

1: 98.6 g / NaH / dimethylformamide / 24 h / 44 - 47 °C

2: 63.4 percent / K₂CO₃ / acetone / 5 h / Heating

3: 82.9 percent / K₂CO₃ / aq. ethanol / 18 h / Heating

4: 89.8 percent / H₂ / 5percent Pd-C / ethanol

5: 99.3 percent / CH₂Cl₂ / 1 h / Ambient temperature

6: 11.0 g / Na₂CO₃ / dimethylformamide / 2.5 h / Ambient temperature

7: 4.8percent aq. NaOH / benzene; dimethylformamide; H₂O / 1 h / 8 °C

8: 70 percent / NH₄SCN / acetone / 1 h / Ambient temperature

With sodium hydroxide; hydrogen; ammonium thiocyanate; sodium hydride; sodium carbonate; potassium carbonate; palladium on activated charcoal; In ethanol; dichloromethane; water; N,N-dimethyl-formamide; acetone; benzene;

DOI:10.1248/cpb.31.3424

upstream raw materials:

benzoyl chloride

2-(2-methylaminophenyl)propionitrile

(+/-)-ethyl cyano(2-nitrophenyl)acetate

2-Chloronitrobenzene

Downstream raw materials:

2-<2-(N-methyl-N-thiazol-2-ylamino)phenyl>propionic acid

2-[4-(methyl-thiazol-2-yl-amino)-phenyl]-propionic acid