alpha-[(Acetylthio)methyl]-4-(1-methylethyl)-gamma-oxobenzenebutanoic acid

Base Information

Chemical Name:alpha-[(Acetylthio)methyl]-4-(1-methylethyl)-gamma-oxobenzenebutanoic acid
CAS No.:101973-78-8
Molecular Formula:C₁₆H₂₀O₄S
Molecular Weight:308.398
Hs Code.:
DSSTox Substance ID:DTXSID701165696

Synonyms:DTXSID701165696;alpha-[(Acetylthio)methyl]-4-(1-methylethyl)-gamma-oxobenzenebutanoic acid;101973-78-8

Suppliers and Price of alpha-[(Acetylthio)methyl]-4-(1-methylethyl)-gamma-oxobenzenebutanoic acid

Supply Marketing:

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

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Chemical Property of alpha-[(Acetylthio)methyl]-4-(1-methylethyl)-gamma-oxobenzenebutanoic acid

Chemical Property:

XLogP3:2.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:8
Exact Mass:308.10823029
Heavy Atom Count:21
Complexity:384

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

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

Technology Process of alpha-[(Acetylthio)methyl]-4-(1-methylethyl)-gamma-oxobenzenebutanoic acid

There total 3 articles about alpha-[(Acetylthio)methyl]-4-(1-methylethyl)-gamma-oxobenzenebutanoic 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: 69.8%

: 101973-93-7
3-(4-isopropylbenzoyl)-2-methylenepropionic acid

: 507-09-5
tiolacetic acid

: 101973-78-8
2-acetylthiomethyl-4-(4-isopropylphenyl)-4-oxobutanoic acid

Guidance literature:: With potassium carbonate; In water; N,N-dimethyl-formamide; at 30 ℃; for 2.5h;
DOI:10.1248/cpb.36.2050

Reference yield:

: 98-82-8
Isopropylbenzene

: 101973-78-8
2-acetylthiomethyl-4-(4-isopropylphenyl)-4-oxobutanoic acid

Guidance literature:: Multi-step reaction with 2 steps

1: 51.3 percent / AlCl₃ / 1,2-dichloro-ethane

2: 69.8 percent / potassium carbonate / dimethylformamide; H₂O / 2.5 h / 30 °C

With aluminium trichloride; potassium carbonate; In water; 1,2-dichloro-ethane; N,N-dimethyl-formamide;
DOI:10.1248/cpb.36.2050

Reference yield:

: 2170-03-8
itaconic acid anhydride

: 101973-78-8
2-acetylthiomethyl-4-(4-isopropylphenyl)-4-oxobutanoic acid

Guidance literature:: Multi-step reaction with 2 steps

1: 51.3 percent / AlCl₃ / 1,2-dichloro-ethane

2: 69.8 percent / potassium carbonate / dimethylformamide; H₂O / 2.5 h / 30 °C

With aluminium trichloride; potassium carbonate; In water; 1,2-dichloro-ethane; N,N-dimethyl-formamide;
DOI:10.1248/cpb.36.2050