Pyrrole-2,4-diol, 3-acetyl-5-sec-butyl-

Base Information

Chemical Name:Pyrrole-2,4-diol, 3-acetyl-5-sec-butyl-
CAS No.:27778-66-1
Molecular Formula:C10H15 N O3
Molecular Weight:197.234
Hs Code.:2933990090
Mol file:27778-66-1.mol

Synonyms:5-21-11-00555 (Beilstein Handbook Reference);BRN 0008485;3-Acetyl-2,4-dihydroxy-5-(1-methylpropyl)pyrrole;2,4-Pyrrolidinedione, 3-acetyl-5-(1-methylpropyl)-, (5S-(5R*(R*)))-

Suppliers and Price of Pyrrole-2,4-diol, 3-acetyl-5-sec-butyl-

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 3 raw suppliers

Chemical Property of Pyrrole-2,4-diol, 3-acetyl-5-sec-butyl-

Chemical Property:

Vapor Pressure:1.48E-06mmHg at 25°C
Boiling Point:349.9°Cat760mmHg
PKA:9.07±0.40(Predicted)
Flash Point:165.4°C
PSA：73.32000
Density:1.212g/cm³
LogP:2.14200
XLogP3:2.1
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:197.10519334
Heavy Atom Count:14
Complexity:219

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCC(C)C1=C(C(=C(N1)O)C(=O)C)O

Technology Process of Pyrrole-2,4-diol, 3-acetyl-5-sec-butyl-

There total 2 articles about Pyrrole-2,4-diol, 3-acetyl-5-sec-butyl- 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: 60.0%

: 113743-98-9,128987-90-6
(S)-5-((S)-sec-butyl)pyrrolidine-2,4-dione

: 75-36-5
acetyl chloride

: 27778-66-1
(-)-(5S,6S)-3-acetyl-5-s-butylpyrrolidine-2,4-dione

Guidance literature:: With boron trifluoride diethyl etherate; at 75 ℃; for 10h;
DOI:10.1039/b412779j

Reference yield:

: 823200-19-7
(5S,6S)-4-benzyloxy-5-s-butylpyrrolin-2-one

: 27778-66-1
(-)-(5S,6S)-3-acetyl-5-s-butylpyrrolidine-2,4-dione

Guidance literature:: Multi-step reaction with 2 steps

1: 99 percent / H₂ / Pd/C / methanol / 2 h / 20 °C / 760 Torr

2: 60 percent / BF₃*OEt₂ / 10 h / 75 °C

With boron trifluoride diethyl etherate; hydrogen; palladium on activated charcoal; In methanol;
DOI:10.1039/b412779j