4-(2-Methylpropyl)benzenepropanoyl chloride

Base Information

• Chemical Name: 4-(2-Methylpropyl)benzenepropanoyl chloride
• CAS No.: 41053-71-8
• Molecular Formula: C₁₃H₁₇ClO
• Molecular Weight: 224.73
• DSSTox Substance ID: DTXSID501261561
• Mol file: 41053-71-8.mol

Synonyms:4-(2-Methylpropyl)benzenepropanoyl chloride;SCHEMBL10655120;DTXSID501261561;41053-71-8

Chemical Property of 4-(2-Methylpropyl)benzenepropanoyl chloride

Chemical Property:

• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 224.0967929
• Heavy Atom Count: 15
• Complexity: 193

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)CC1=CC=C(C=C1)CCC(=O)Cl

Technology Process of 4-(2-Methylpropyl)benzenepropanoyl chloride

There total 6 articles about 4-(2-Methylpropyl)benzenepropanoyl chloride 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:

4-(2-methyl-1-propyl)benzaldehyde (40150-98-9) → 3-(4-Isobutyl-phenyl)-propionyl chloride (41053-71-8)

Guidance literature:

Multi-step reaction with 3 steps

1: 86 percent / morpholine / 2 h / Heating

2: H₂ / 20percent Pd/C / methanol

3: oxalyl chloride, DMF / CH₂Cl₂ / 0.67 h

With morpholine; oxalyl dichloride; hydrogen; N,N-dimethyl-formamide; palladium on activated charcoal; In methanol; dichloromethane;

DOI:10.1021/jm00394a032

Reference yield:

1-(4-isobutyl-phenyl)-ethanone (38861-78-8) → 3-(4-Isobutyl-phenyl)-propionyl chloride (41053-71-8)

Guidance literature:

Multi-step reaction with 6 steps

1: 38 percent / aq. sodium hypochlorite / 12 h / Heating

2: borane / tetrahydrofuran / 3 h / Ambient temperature

3: 89 percent / pyridinium chlorochromate / CH₂Cl₂ / 3 h

4: 86 percent / morpholine / 2 h / Heating

5: H₂ / 20percent Pd/C / methanol

6: oxalyl chloride, DMF / CH₂Cl₂ / 0.67 h

With morpholine; sodium hypochlorite; oxalyl dichloride; borane; hydrogen; N,N-dimethyl-formamide; pyridinium chlorochromate; palladium on activated charcoal; In tetrahydrofuran; methanol; dichloromethane;

DOI:10.1021/jm00394a032

Reference yield:

4-isobutylbenzoic acid (38861-88-0) → 3-(4-Isobutyl-phenyl)-propionyl chloride (41053-71-8)

Guidance literature:

Multi-step reaction with 5 steps

1: borane / tetrahydrofuran / 3 h / Ambient temperature

2: 89 percent / pyridinium chlorochromate / CH₂Cl₂ / 3 h

3: 86 percent / morpholine / 2 h / Heating

4: H₂ / 20percent Pd/C / methanol

5: oxalyl chloride, DMF / CH₂Cl₂ / 0.67 h

With morpholine; oxalyl dichloride; borane; hydrogen; N,N-dimethyl-formamide; pyridinium chlorochromate; palladium on activated charcoal; In tetrahydrofuran; methanol; dichloromethane;

DOI:10.1021/jm00394a032

upstream raw materials:

3-(4'-isobutylphenyl)propionic acid

4-(2-methyl-1-propyl)benzaldehyde

1-(4-isobutyl-phenyl)-ethanone

4-isobutylbenzoic acid

Downstream raw materials:

N-(4'-hydroxy-3'-methyl-1'-naphthyl)-3-(4-iso-butylphenyl)-propanamide

N-(4'-hydroxy-3',5'-dimethylphenyl)-3-(4-iso-butylphenyl)-propanamide