3-[4-(3-Methylbut-2-enoxy)phenyl]-4-(2-methylpropyl)pyrrole-2,5-dione

Base Information

Chemical Name:3-[4-(3-Methylbut-2-enoxy)phenyl]-4-(2-methylpropyl)pyrrole-2,5-dione
CAS No.:656830-25-0
Molecular Formula:C19H23NO3
Molecular Weight:313.397
Hs Code.:
ChEMBL ID:CHEMBL471118
Metabolomics Workbench ID:105367
Nikkaji Number:J1.986.578I
Wikidata:Q77518159

Synonyms:antrodin B

Suppliers and Price of 3-[4-(3-Methylbut-2-enoxy)phenyl]-4-(2-methylpropyl)pyrrole-2,5-dione

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 2 raw suppliers

Chemical Property of 3-[4-(3-Methylbut-2-enoxy)phenyl]-4-(2-methylpropyl)pyrrole-2,5-dione

Chemical Property:

XLogP3:4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:6
Exact Mass:313.16779360
Heavy Atom Count:23
Complexity:519

Purity/Quality:: 95%+ or 98%+ ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)CC1=C(C(=O)NC1=O)C2=CC=C(C=C2)OCC=C(C)C

Technology Process of 3-[4-(3-Methylbut-2-enoxy)phenyl]-4-(2-methylpropyl)pyrrole-2,5-dione

There total 24 articles about 3-[4-(3-Methylbut-2-enoxy)phenyl]-4-(2-methylpropyl)pyrrole-2,5-dione 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: 93.0%

: 656830-24-9
3-[4-(3-methylbut-2-enyloxy)phenyl]-4-isobutylfuran-2,5-dione

: 656830-25-0
3-isobutyl-4-{4-[(3-methyl-2-butenyl)oxy]phenyl}-1H-pyrrole-2,5-dione

Guidance literature:: With 1,1,1,3,3,3-hexamethyl-disilazane; In methanol; N,N-dimethyl-formamide; at 20 ℃; for 16h;
DOI:10.1016/j.tet.2012.09.064

Reference yield:

: 656830-26-1
1-hydroxy-3-isobutyl-4-[4-(3-methyl-2-butenyloxy)phenyl]-1H-pyrrol-2,5-dione

: 656830-25-0
3-isobutyl-4-{4-[(3-methyl-2-butenyl)oxy]phenyl}-1H-pyrrole-2,5-dione

Guidance literature:: With intestinal bacteria; In GAM broth; Tween 20; at 37 ℃; for 72h; Microbiological reaction; anaerobically;

Reference yield:

: 870-63-3
prenyl bromide

: 656830-25-0
3-isobutyl-4-{4-[(3-methyl-2-butenyl)oxy]phenyl}-1H-pyrrole-2,5-dione

Guidance literature:: Multi-step reaction with 5 steps

1.1: 77 percent / K₂CO₃ / acetone / 16 h / 56 °C

2.1: nBuLi / tetrahydrofuran / 0.33 h / -78 °C

2.2: B(OMe)3 / tetrahydrofuran / 1.5 h / -78 - 20 °C

2.3: 59 percent / NH₄Cl; H₂O / tetrahydrofuran / 0.5 h / 20 °C

3.1: 76 percent / Cy₂NMe; tBu₃PH⁽¹⁺⁾*BF₄^(1-) / Pd₂(dba)3 / dioxane / 14 h / 22 °C

4.1: 63 percent / KOH / tetrahydrofuran; methanol / 12 h / Heating

5.1: 60 percent / urea / 4 h / 140 °C

With potassium hydroxide; n-butyllithium; N-Methyldicyclohexylamine; potassium carbonate; urea; tri tert-butylphosphoniumtetrafluoroborate; tris(dibenzylideneacetone)dipalladium ⁽⁰⁾; In tetrahydrofuran; 1,4-dioxane; methanol; acetone; 3.1: Suzuki cross-coupling;
DOI:10.1016/j.tetlet.2007.01.169