2-Benzyl 4-(tert-butyl) 3-(3-methoxy-3-oxopropyl)-5-methyl-1H-pyrrole-2,4-dicarboxylate

Base Information

Chemical Name:2-Benzyl 4-(tert-butyl) 3-(3-methoxy-3-oxopropyl)-5-methyl-1H-pyrrole-2,4-dicarboxylate
CAS No.:53365-80-3
Molecular Formula:C₂₂H₂₇NO₆
Molecular Weight:401.459
Hs Code.:
DSSTox Substance ID:DTXSID20379482
Wikidata:Q82169316
Mol file:53365-80-3.mol

Synonyms:53365-80-3;2-BENZYL 4-(TERT-BUTYL) 3-(3-METHOXY-3-OXOPROPYL)-5-METHYL-1H-PYRROLE-2,4-DICARBOXYLATE;2-O-benzyl 4-O-tert-butyl 3-(3-methoxy-3-oxopropyl)-5-methyl-1H-pyrrole-2,4-dicarboxylate;2-benzyl 4-tert-butyl 3-(3-methoxy-3-oxopropyl)-5-methyl-1H-pyrrole-2,4-dicarboxylate;Maybridge1_002051;Oprea1_851928;HMS547F05;DTXSID20379482;CCG-49071;MFCD00102153;FT-0611298;J-508102;SR-01000638554-1;2-Benzyl 4-(tert-Butyl),3-(3-methoxy-3-oxopropyl)-5-methyl-1H-pyrrole-2,4-dicarboxylate;2-benzyl 4-(tert-butyl)3-(3-methoxy-3-oxopropyl)-5-methyl-1h-pyrrole-2,4-dicarboxylate;2-BENZYL4-(TERT-BUTYL)3-(3-METHOXY-3-OXOPROPYL)-5-METHYL-1H-PYRROLE-2,4-DICARBOXYLATE

Suppliers and Price of 2-Benzyl 4-(tert-butyl) 3-(3-methoxy-3-oxopropyl)-5-methyl-1H-pyrrole-2,4-dicarboxylate

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

American Custom Chemicals Corporation
2-BENZYL 4-(TERT-BUTYL) 3-(3-METHOXY-3-OXOPROPYL)-5-METHYL-1H-PYRROLE-2,4-DICARBOXYLATE 95.00%
5MG
$ 504.14

Total 3 raw suppliers

Chemical Property of 2-Benzyl 4-(tert-butyl) 3-(3-methoxy-3-oxopropyl)-5-methyl-1H-pyrrole-2,4-dicarboxylate

Chemical Property:

Vapor Pressure:2E-12mmHg at 25°C
Boiling Point:556.6°Cat760mmHg
Flash Point:290.4°C
PSA：94.69000
Density:1.182g/cm³
LogP:3.74100
XLogP3:3.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:11
Exact Mass:401.18383758
Heavy Atom Count:29
Complexity:578

Purity/Quality:

99% ^*data from raw suppliers

2-BENZYL 4-(TERT-BUTYL) 3-(3-METHOXY-3-OXOPROPYL)-5-METHYL-1H-PYRROLE-2,4-DICARBOXYLATE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=C(C(=C(N1)C(=O)OCC2=CC=CC=C2)CCC(=O)OC)C(=O)OC(C)(C)C

Technology Process of 2-Benzyl 4-(tert-butyl) 3-(3-methoxy-3-oxopropyl)-5-methyl-1H-pyrrole-2,4-dicarboxylate

There total 3 articles about 2-Benzyl 4-(tert-butyl) 3-(3-methoxy-3-oxopropyl)-5-methyl-1H-pyrrole-2,4-dicarboxylate 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:

: 1694-31-1
tert-butyl acetoacetate

: 74839-04-6
2-[(E)-Hydroxyimino]-3-oxo-hexanedioic acid 1-benzyl ester 6-methyl ester

: 53365-80-3
Methyl 2-(benzyloxycarbonyl)-4-(tert-butoxycarbonyl)-5-methylpyrrole-3-propionate

Guidance literature:: With ammonium acetate; acetic acid; zinc; at 50 - 70 ℃; for 0.5h; Yield given;
DOI:10.1039/p19960002079

Reference yield:

: 53314-75-3
Benzyl-δ-(methoxycarbonyl)-γ-oxovalerate

: 53365-80-3
Methyl 2-(benzyloxycarbonyl)-4-(tert-butoxycarbonyl)-5-methylpyrrole-3-propionate

Guidance literature:: Multi-step reaction with 2 steps

1: aq. NaNO₂, AcOH / Ambient temperature

2: aq. AcOH, Zn, NH₄OAc / 0.5 h / 50 - 70 °C

With ammonium acetate; acetic acid; zinc; sodium nitrite;
DOI:10.1039/p19960002079