3-Oxothiobutyric acid S-ethyl ester

Base Information

• Chemical Name: 3-Oxothiobutyric acid S-ethyl ester
• CAS No.: 3075-23-8
• Molecular Formula: C6H10O2S
• Molecular Weight: 146.21
• Hs Code.: 2930909090
• Mol file: 3075-23-8.mol

Synonyms:S-Ethyl acetothioacetate;S-ethyl 3-oxobutanethioate;

Chemical Property of 3-Oxothiobutyric acid S-ethyl ester

Chemical Property:

• Refractive Index: n20/D1.495
• Flash Point: 80℃
• PSA: 59.44000
• Density: 1.092 g/mL at 25 °C
• LogP: 1.24520

Purity/Quality:

95% ^*data from raw suppliers

S-Ethyl acetothioacetate 90% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22-36/37/38
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Technology Process of 3-Oxothiobutyric acid S-ethyl ester

There total 1 articles about 3-Oxothiobutyric acid S-ethyl ester 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:

ethyl thioacetate (625-60-5) + Ethyl propionate (105-37-3,20741-13-3) → 2-acetylpropanoic acid ethyl ester (609-14-3) + S-ethyl acetothioacetate (3075-23-8) + ethyl 2-methyl-3-oxopentanoate (121811-29-8,138752-66-6,138752-69-9,759-66-0) + S-ethyl 3-oxothiovalerate (63883-28-3)

Guidance literature:

With isopropylmagnesium chloride; In diethyl ether; for 1.33333h;

DOI:10.1021/jo01302a006

Reference yield: 90.0%

S-ethyl acetothioacetate (3075-23-8) + benzaldehyde (100-52-7) + thiourea (17356-08-0) → S-ethyl 6-methyl-4-phenyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carbothioate

Guidance literature:

With chloro-trimethyl-silane; In acetonitrile; at 120 ℃; for 0.166667h; microwave irradiation;

DOI:10.1021/jo070408f

Reference yield: 90.0%

S-ethyl acetothioacetate (3075-23-8) + benzaldehyde (100-52-7) + urea (57-13-6) → C14H16N2O2S (929600-90-8)

Guidance literature:

With chloro-trimethyl-silane; In acetonitrile; at 120 ℃; for 0.166667h; microwave irradiation;

DOI:10.1055/s-2006-958443

upstream raw materials:

ethyl thioacetate

Ethyl propionate

Downstream raw materials:

Dehydracetic acid

2-Methyl-5,5-dioxo-4-phenyl-4,5-dihydro-1H-5λ⁶-benzo[4,5]thieno[3,2-b]pyridine-3-carbothioic acid S-ethyl ester

1,2-dihydro-5-methyl-3H-pyrazol-3-one

5-Hydroxy-5-methyl-pyrazolidin-3-one

Refernces