2-[(Acetylsulfanyl)methyl]-4-(4-methylphenoxy)butanoic acid

Base Information

Chemical Name:2-[(Acetylsulfanyl)methyl]-4-(4-methylphenoxy)butanoic acid
CAS No.:124947-23-5
Molecular Formula:C14H18O4S
Molecular Weight:282.361
Hs Code.:
DSSTox Substance ID:DTXSID80561184
Nikkaji Number:J472.175F
Mol file:124947-23-5.mol

Synonyms:124947-23-5;DTXSID80561184;2-[(Acetylsulfanyl)methyl]-4-(4-methylphenoxy)butanoic acid

Suppliers and Price of 2-[(Acetylsulfanyl)methyl]-4-(4-methylphenoxy)butanoic acid

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 2 raw suppliers

Chemical Property of 2-[(Acetylsulfanyl)methyl]-4-(4-methylphenoxy)butanoic acid

Chemical Property:

XLogP3:2.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:8
Exact Mass:282.09258022
Heavy Atom Count:19
Complexity:298

Purity/Quality:: 99.90% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CC=C(C=C1)OCCC(CSC(=O)C)C(=O)O

Technology Process of 2-[(Acetylsulfanyl)methyl]-4-(4-methylphenoxy)butanoic acid

There total 7 articles about 2-[(Acetylsulfanyl)methyl]-4-(4-methylphenoxy)butanoic acid 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: 87.3%

: 124947-14-4
2-methylene-4-(4-methylphenoxy)butyric acid

: 507-09-5
tiolacetic acid

: 124947-23-5
2-acetylthiomethyl-4-(4-methylphenoxy)butyric acid

Guidance literature:: With potassium carbonate; In N,N-dimethyl-formamide; at 30 ℃; for 2h;
DOI:10.1248/cpb.40.774

Reference yield:

: 106-44-5
p-cresol

: 124947-23-5
2-acetylthiomethyl-4-(4-methylphenoxy)butyric acid

Guidance literature:: Multi-step reaction with 7 steps

1: 1.) NaOH / 1.) ethanol, 70 deg C, 30 min, 2.) ethanol, reflux, 4 h

2: 76.8 percent / SOCl₂ / toluene / 1 h / 90 °C

3: 1.) 60percent NaH / 1.) DMF, 80 deg C, 30 min, 2.) DMF, 100 deg C, 4 h

4: KOH, H₂O / ethanol / 3 h / Ambient temperature

5: 19.9 g / piperidine / pyridine / 4 h / 65 °C

6: KOH, H₂O / ethanol / 8 h / Ambient temperature

7: 87.3 percent / aq. K₂CO₃ / dimethylformamide / 2 h / 30 °C

With piperidine; potassium hydroxide; sodium hydroxide; thionyl chloride; water; sodium hydride; potassium carbonate; In pyridine; ethanol; N,N-dimethyl-formamide; toluene;
DOI:10.1248/cpb.40.774

Reference yield:

: 15149-10-7
2-(4-methylphenoxy)ethanol

: 124947-23-5
2-acetylthiomethyl-4-(4-methylphenoxy)butyric acid

Guidance literature:: Multi-step reaction with 6 steps

1: 76.8 percent / SOCl₂ / toluene / 1 h / 90 °C

2: 1.) 60percent NaH / 1.) DMF, 80 deg C, 30 min, 2.) DMF, 100 deg C, 4 h

3: KOH, H₂O / ethanol / 3 h / Ambient temperature

4: 19.9 g / piperidine / pyridine / 4 h / 65 °C

5: KOH, H₂O / ethanol / 8 h / Ambient temperature

6: 87.3 percent / aq. K₂CO₃ / dimethylformamide / 2 h / 30 °C

With piperidine; potassium hydroxide; thionyl chloride; water; sodium hydride; potassium carbonate; In pyridine; ethanol; N,N-dimethyl-formamide; toluene;
DOI:10.1248/cpb.40.774