methyl 4-[(4-chloro-3-oxobutyl)sulfanyl]benzoate

Base Information

• Chemical Name: methyl 4-[(4-chloro-3-oxobutyl)sulfanyl]benzoate
• CAS No.: 67426-03-3
• Molecular Formula: C12H13 Cl O3 S
• Molecular Weight: 272.7478
• Mol file: 67426-03-3.mol

Synonyms:NSC 319979

Chemical Property of methyl 4-[(4-chloro-3-oxobutyl)sulfanyl]benzoate

Chemical Property:

• Vapor Pressure: 9.07E-07mmHg at 25°C
• Boiling Point: 405°Cat760mmHg
• Flash Point: 198.7°C
• Density: 1.27g/cm³

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of methyl 4-[(4-chloro-3-oxobutyl)sulfanyl]benzoate

There total 1 articles about methyl 4-[(4-chloro-3-oxobutyl)sulfanyl]benzoate 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:

→ 1-chloro-4--2-butanone (67426-03-3)

Guidance literature:

p-Carbomethoxythiophenol, Chlormethylvinylketon;

DOI:10.1021/jo00415a035

Reference yield: 91.0%

1-chloro-4--2-butanone (67426-03-3) → 1-azido-4--2-butanone (74162-96-2)

Guidance literature:

With sodium azide; potassium iodide; In acetone;

DOI:10.1021/jm00182a017

Reference yield:

1-chloro-4--2-butanone (67426-03-3) → 11-thiohomoaminopterin (74163-10-3)

Guidance literature:

Multi-step reaction with 12 steps

1: 91 percent / sodium azide, potassium iodide / acetone

2: 85 percent / p-toluenesulfonic acid / benzene / 6 h / Heating

3: H₂ / 5percent Pd/C / methanol / 18 h / 1189.4 Torr

4: 78 percent / N-methylmorpholine / methanol / 4 h / Heating

5: 94 percent / trifluoroacetic acid (TFA) / 50 °C

6: 80 percent / sodium dithionite / dioxane

7: 750 mg / pyridine, concd. HCl / methanol / 1 h / Heating

8: dimethylformamide / 2 h / 120 °C

9: 240 mg / NaOH / acetonitrile / 4 h

10: N-methylmorpholine / dimethylsulfoxide; tetrahydrofuran / 0.33 h / 0 - 25 °C

11: N-methylmorpholine / dimethylsulfoxide; tetrahydrofuran / 18 h / 25 °C

12: NaOH / acetonitrile / 4 h

With 4-methyl-morpholine; pyridine; hydrogenchloride; sodium hydroxide; sodium azide; sodium dithionite; hydrogen; toluene-4-sulfonic acid; N,N-dimethyl-formamide; trifluoroacetic acid; potassium iodide; palladium on activated charcoal; In tetrahydrofuran; 1,4-dioxane; methanol; dimethyl sulfoxide; acetone; acetonitrile; benzene;

DOI:10.1021/jm00182a017

Downstream raw materials:

1-azido-4--2-butanone

11-thiohomoaminopterin

4-[2-(2-Aminomethyl-[1,3]dioxolan-2-yl)-ethylsulfanyl]-benzoic acid methyl ester

4-[2-(2-Azidomethyl-[1,3]dioxolan-2-yl)-ethylsulfanyl]-benzoic acid