3-Acetyl-1-(phenylsulfonyl)pyrrole

Base Information

• Chemical Name: 3-Acetyl-1-(phenylsulfonyl)pyrrole
• CAS No.: 81453-98-7
• Molecular Formula: C12H11NO3S
• Molecular Weight: 249.29
• Hs Code.: 29350090
• Mol file: 81453-98-7.mol

Synonyms:1-[1-(benzenesulfonyl)pyrrol-3-yl]ethanone;3-Acetyl-1-(phenylsulphonyl)-1H-pyrrole;

Chemical Property of 3-Acetyl-1-(phenylsulfonyl)pyrrole

Chemical Property:

• Appearance/Colour: beige crystalline powder
• Vapor Pressure: 8.61E-08mmHg at 25°C
• Melting Point: 96-99 °C(lit.)
• Refractive Index: 1.599
• Boiling Point: 435.7 °C at 760 mmHg
• PKA: -11.54±0.70(Predicted)
• Flash Point: 217.3 °C
• PSA: 64.52000
• Density: 1.26 g/cm³
• LogP: 3.00850

Purity/Quality:

98%,99%, ^*data from raw suppliers

3-Acetyl-1-(phenylsulfonyl)-1H-pyrrole ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Technology Process of 3-Acetyl-1-(phenylsulfonyl)pyrrole

There total 7 articles about 3-Acetyl-1-(phenylsulfonyl)pyrrole 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: 99.0%

N-phenylsulfonylpyrrole (16851-82-4) + acetic anhydride (108-24-7) → 3-acetyl-1-(phenylsulfonyl)pyrrole (81453-98-7)

Guidance literature:

aluminium trichloride; In 1,2-dichloro-ethane; at 25 ℃; for 2h;

DOI:10.1016/S0040-4039(01)92377-9

Reference yield: 98.0%

N-phenylsulfonylpyrrole (16851-82-4) + acetyl chloride (75-36-5) → 3-acetyl-1-(phenylsulfonyl)pyrrole (81453-98-7)

Guidance literature:

aluminium trichloride; In 1,2-dichloro-ethane; at 25 ℃; for 2h;

DOI:10.1016/S0040-4039(01)92377-9

Reference yield: 96.0%

→ 3-acetyl-1-(phenylsulfonyl)pyrrole (81453-98-7)

Guidance literature:

upstream raw materials:

N-phenylsulfonylpyrrole

acetic anhydride

acetic acid

acetyl chloride

Downstream raw materials:

2-chloro-1-(1-(phenylsulfonyl)-1H-pyrrol-3-yl)ethanone

1-(Phenylsulfonyl)-3-(carbomethoxymethyl)pyrrole

1-<1-(benzenesulfonyl)pyrrol-3-yl>ethanol

N-(1-(1-(phenylsulfonyl)-1H-pyrrol-3-yl)vinyl)acetamide

Refernces

• 1、 Liu, Guangchang,Xu, Bo. "Hydrogen bond donor solvents enabled metal and halogen-free Friedel–Crafts acylations with virtually no waste stream". supporting information. p. 869 - 872. Retrieved 2018/02/09.
• 2、 He, Yuwei,Lin, Maohui,Li, Zhongmin,Liang, Xinting,Li, Guilong,Antilla, Jon C.. "Direct synthesis of chiral 1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazines via a catalytic asymmetric intramolecular aza-Friedel-Crafts reaction". supporting information; scheme or table. p. 4490 - 4493. Retrieved 2011/10/09.