4-(Benzylsulfanyl)-2-methyl-3-oxobutan-2-yl acetate

Base Information

• Chemical Name: 4-(Benzylsulfanyl)-2-methyl-3-oxobutan-2-yl acetate
• CAS No.: 62738-27-6
• Molecular Formula: C₁₄H₁₈O₃S
• Molecular Weight: 266.361
• DSSTox Substance ID: DTXSID00491297
• Wikidata: Q82335681
• Mol file: 62738-27-6.mol

Synonyms:62738-27-6;4-(Benzylsulfanyl)-2-methyl-3-oxobutan-2-yl acetate;DTXSID00491297

Chemical Property of 4-(Benzylsulfanyl)-2-methyl-3-oxobutan-2-yl acetate

Chemical Property:

• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 266.09766561
• Heavy Atom Count: 18
• Complexity: 293

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(=O)OC(C)(C)C(=O)CSCC1=CC=CC=C1

Technology Process of 4-(Benzylsulfanyl)-2-methyl-3-oxobutan-2-yl acetate

There total 4 articles about 4-(Benzylsulfanyl)-2-methyl-3-oxobutan-2-yl acetate 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:

α-(Benzylthio)-isobuttersaeure-ethylester (62738-24-3) → Acetic acid 3-benzylsulfanyl-1,1-dimethyl-2-oxo-propyl ester (62738-27-6)

Guidance literature:

Multi-step reaction with 3 steps

1: KOH / ethanol

2: SOCl₂

3: (i) Et₂O, (ii) /BRN= 506007/

With potassium hydroxide; thionyl chloride; In ethanol;

Reference yield:

phenylmethanethiol (100-53-8) → Acetic acid 3-benzylsulfanyl-1,1-dimethyl-2-oxo-propyl ester (62738-27-6)

Guidance literature:

Multi-step reaction with 4 steps

1: (i) NaOEt, EtOH, (ii) /BRN= 1098947/

2: KOH / ethanol

3: SOCl₂

4: (i) Et₂O, (ii) /BRN= 506007/

With potassium hydroxide; thionyl chloride; In ethanol;

Reference yield:

S-benzyl-2-mercapto-2-methylpropanoic acid (36038-77-4) → Acetic acid 3-benzylsulfanyl-1,1-dimethyl-2-oxo-propyl ester (62738-27-6)

Guidance literature:

Multi-step reaction with 2 steps

1: SOCl₂

2: (i) Et₂O, (ii) /BRN= 506007/

With thionyl chloride;

upstream raw materials:

diazomethane

S-benzyl-2-mercapto-2-methylpropanoyl chloride

acetic acid

S-benzyl-2-mercapto-2-methylpropanoic acid