2-(4-(2-Propylthio)phenyl)propionamide

Base Information

• Chemical Name: 2-(4-(2-Propylthio)phenyl)propionamide
• CAS No.: 129602-95-5
• Molecular Formula: C₁₂H₁₇NOS
• Molecular Weight: 223.339
• DSSTox Substance ID: DTXSID30926446
• Mol file: 129602-95-5.mol

Synonyms:129602-95-5;2-(4-(2-Propylthio)phenyl)propionamide;2-(4-propan-2-ylsulfanylphenyl)propanamide;BRN 4182752;alpha-Methyl-4-((1-methylethyl)thio)benzeneacetamide;Benzeneacetamide, alpha-methyl-4-((1-methylethyl)thio)-;DTXSID30926446;AKOS005066346;LS-28572;2-{4-[(Propan-2-yl)sulfanyl]phenyl}propanimidic acid

Chemical Property of 2-(4-(2-Propylthio)phenyl)propionamide

Chemical Property:

• Vapor Pressure: 2.28E-06mmHg at 25°C
• Boiling Point: 392.5°Cat760mmHg
• Flash Point: 191.2°C
• PSA: 69.38000
• Density: 1.09g/cm³
• LogP: 3.92560
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 223.10308534
• Heavy Atom Count: 15
• Complexity: 210

Purity/Quality:

ALPHA-METHYL-4-((1-METHYLETHYL)THIO)BENZENEACETAMIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)SC1=CC=C(C=C1)C(C)C(=O)N

Technology Process of 2-(4-(2-Propylthio)phenyl)propionamide

There total 9 articles about 2-(4-(2-Propylthio)phenyl)propionamide 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:

isopropylthiobenzene (3019-20-3) → 2-(4-(2-propylthio)phenyl)propionamide (129602-95-5)

Guidance literature:

Multi-step reaction with 6 steps

1: 27 percent / AlCl₃ / 1,2-dichloro-ethane / 4.5 h / 20 °C

2: diethyl ether; toluene / 3 h / Ambient temperature

3: K₂CO₃ / methanol; H₂O / 6 h / Heating

4: 95 percent / red phosphorus, I₂ / aq. acetic acid / 5 h / Heating

5: SOCl₂ / hexane / 4 h / Heating

6: NH₃ / diethyl ether / Ambient temperature

With phosphorus; aluminium trichloride; thionyl chloride; ammonia; iodine; potassium carbonate; In methanol; diethyl ether; hexane; water; acetic acid; 1,2-dichloro-ethane; toluene;

Reference yield:

2-(4-aminophenyl)propionic acid (59430-62-5) → 2-(4-(2-propylthio)phenyl)propionamide (129602-95-5)

Guidance literature:

Multi-step reaction with 5 steps

1: 1.) aq. HCl, NaNO₂ / 1.) water, 0 deg C, 45 min, 2.) ethyl acetate, 55 deg C, 30 min

2: KOH / ethanol; H₂O / 12 h / Heating

3: 1.) K₂CO₃, 2.) NaOH / 1.) DMF, 60 deg C, 5 h, 2.) ethanol/water, reflux, 5.5 h

4: SOCl₂ / hexane / 4 h / Heating

5: NH₃ / diethyl ether / Ambient temperature

With hydrogenchloride; potassium hydroxide; sodium hydroxide; thionyl chloride; ammonia; potassium carbonate; sodium nitrite; In diethyl ether; ethanol; hexane; water;

Reference yield:

2-(4-mercaptophenyl)propionic acid (34124-56-6) → 2-(4-(2-propylthio)phenyl)propionamide (129602-95-5)

Guidance literature:

Multi-step reaction with 3 steps

1: 1.) K₂CO₃, 2.) NaOH / 1.) DMF, 60 deg C, 5 h, 2.) ethanol/water, reflux, 5.5 h

2: SOCl₂ / hexane / 4 h / Heating

3: NH₃ / diethyl ether / Ambient temperature

With sodium hydroxide; thionyl chloride; ammonia; potassium carbonate; In diethyl ether; hexane;

upstream raw materials:

isopropylthiobenzene

2-(4-aminophenyl)propionic acid

2-(4-mercaptophenyl)propionic acid

2-(4-(2-propylthio)phenyl)propionic acid

Refernces