1-(1,1-Dimethylethyl) 3-ethyl 2,5-dihydro-2-phenyl-1H-pyrrole-1,3-dicarboxylate

Base Information

Chemical Name:1-(1,1-Dimethylethyl) 3-ethyl 2,5-dihydro-2-phenyl-1H-pyrrole-1,3-dicarboxylate
CAS No.:188528-96-3
Molecular Formula:C₁₈H₂₃NO₄
Molecular Weight:317.385
Hs Code.:
DSSTox Substance ID:DTXSID201136353

Synonyms:DTXSID201136353;1-(1,1-Dimethylethyl) 3-ethyl 2,5-dihydro-2-phenyl-1H-pyrrole-1,3-dicarboxylate;188528-96-3

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Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of 1-(1,1-Dimethylethyl) 3-ethyl 2,5-dihydro-2-phenyl-1H-pyrrole-1,3-dicarboxylate

Chemical Property:

XLogP3:3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:317.16270821
Heavy Atom Count:23
Complexity:472

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CCOC(=O)C1=CCN(C1C2=CC=CC=C2)C(=O)OC(C)(C)C

Technology Process of 1-(1,1-Dimethylethyl) 3-ethyl 2,5-dihydro-2-phenyl-1H-pyrrole-1,3-dicarboxylate

There total 6 articles about 1-(1,1-Dimethylethyl) 3-ethyl 2,5-dihydro-2-phenyl-1H-pyrrole-1,3-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: 80.0%

: 591-50-4
iodobenzene

: 188528-94-1
1-tert-butyl 3-ethyl 1H-pyrrole-1,3(2H,5H)dicarboxylate

: 188528-96-3
2-Phenyl-2,5-dihydro-pyrrole-1,3-dicarboxylic acid 1-tert-butyl ester 3-ethyl ester

Guidance literature:: With palladium diacetate; tributyl-amine; triphenylphosphine; In acetonitrile; for 24h; Heating;
DOI:10.3987/com-96-7638

Reference yield:

: 24424-99-5
di-tert-butyl dicarbonate

: 188528-96-3
2-Phenyl-2,5-dihydro-pyrrole-1,3-dicarboxylic acid 1-tert-butyl ester 3-ethyl ester

Guidance literature:: Multi-step reaction with 6 steps

1: tetrahydrofuran; H₂O / 2 h / Ambient temperature

2: 82 percent / Ph₃P, CCl₄, Et₃N / acetonitrile / 12 h / Ambient temperature

3: 73 percent / NaH / tetrahydrofuran / Heating

4: NaBH₄ / methanol / 0.5 h / -40 °C

5: MsCl, Et₃N / 2 h / Ambient temperature

6: 80 percent / Pd(OAc)2, Ph₃P, Bu₃N / acetonitrile / 24 h / Heating

With tetrachloromethane; palladium diacetate; sodium tetrahydroborate; tributyl-amine; sodium hydride; methanesulfonyl chloride; triethylamine; triphenylphosphine; In tetrahydrofuran; methanol; water; acetonitrile;
DOI:10.3987/com-96-7638

Reference yield:

: 26690-80-2
2-(N-tert-butoxycarbonylamino)ethanol

: 188528-96-3
2-Phenyl-2,5-dihydro-pyrrole-1,3-dicarboxylic acid 1-tert-butyl ester 3-ethyl ester

Guidance literature:: Multi-step reaction with 5 steps

1: 82 percent / Ph₃P, CCl₄, Et₃N / acetonitrile / 12 h / Ambient temperature

2: 73 percent / NaH / tetrahydrofuran / Heating

3: NaBH₄ / methanol / 0.5 h / -40 °C

4: MsCl, Et₃N / 2 h / Ambient temperature

5: 80 percent / Pd(OAc)2, Ph₃P, Bu₃N / acetonitrile / 24 h / Heating

With tetrachloromethane; palladium diacetate; sodium tetrahydroborate; tributyl-amine; sodium hydride; methanesulfonyl chloride; triethylamine; triphenylphosphine; In tetrahydrofuran; methanol; acetonitrile;
DOI:10.3987/com-96-7638