1,3-Diethyl 2-[(3R)-1-(phenylmethyl)-3-pyrrolidinyl]propanedioate

Base Information

Chemical Name:1,3-Diethyl 2-[(3R)-1-(phenylmethyl)-3-pyrrolidinyl]propanedioate
CAS No.:216311-62-5
Molecular Formula:C₁₈H₂₅NO₄
Molecular Weight:319.401
Hs Code.:
DSSTox Substance ID:DTXSID101167713

Synonyms:DTXSID101167713;1,3-Diethyl 2-[(3R)-1-(phenylmethyl)-3-pyrrolidinyl]propanedioate;216311-62-5

Suppliers and Price of 1,3-Diethyl 2-[(3R)-1-(phenylmethyl)-3-pyrrolidinyl]propanedioate

Supply Marketing:

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

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Chemical Property of 1,3-Diethyl 2-[(3R)-1-(phenylmethyl)-3-pyrrolidinyl]propanedioate

Chemical Property:

XLogP3:2.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:9
Exact Mass:319.17835828
Heavy Atom Count:23
Complexity:375

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CCOC(=O)C(C1CCN(C1)CC2=CC=CC=C2)C(=O)OCC
Isomeric SMILES:CCOC(=O)C([C@H]1CCN(C1)CC2=CC=CC=C2)C(=O)OCC

Technology Process of 1,3-Diethyl 2-[(3R)-1-(phenylmethyl)-3-pyrrolidinyl]propanedioate

There total 4 articles about 1,3-Diethyl 2-[(3R)-1-(phenylmethyl)-3-pyrrolidinyl]propanedioate 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: 58.0%

: 114715-35-4
(R)-3-methanesulfonyloxy-1-(phenylmethyl)-pyrrolidine

: 105-53-3
diethyl malonate

: 216311-62-5
2-((R)-1-Benzyl-pyrrolidin-3-yl)-malonic acid diethyl ester

Guidance literature:: With cesium fluoride; In dimethyl sulfoxide; at 80 ℃; for 12h;
DOI:10.1055/s-1998-2185

Reference yield:

: 137428-32-1
(2S)-2-[bis(phenylmethyl)amino]-1,4-butanediol

: 216311-62-5
2-((R)-1-Benzyl-pyrrolidin-3-yl)-malonic acid diethyl ester

Guidance literature:: Multi-step reaction with 3 steps

1: Et₃N / tetrahydrofuran / 1.5 h / -25 °C

2: H₂ / 20percent Pd(OH)2/C / ethanol / 0.33 h / 757.6 Torr

3: 58 percent / CsF / dimethylsulfoxide / 12 h / 80 °C

With hydrogen; triethylamine; cesium fluoride; palladium dihydroxide; In tetrahydrofuran; ethanol; dimethyl sulfoxide;
DOI:10.1055/s-1998-2185

Reference yield:

: 159497-65-1
N,N-dibenzylasparaginic acid dibenzyl ester

: 216311-62-5
2-((R)-1-Benzyl-pyrrolidin-3-yl)-malonic acid diethyl ester

Guidance literature:: Multi-step reaction with 4 steps

1: 97 percent / LiAlH₄ / tetrahydrofuran / 1.) 0 deg C, 14 h, 2.) room temp., 1 h

2: Et₃N / tetrahydrofuran / 1.5 h / -25 °C

3: H₂ / 20percent Pd(OH)2/C / ethanol / 0.33 h / 757.6 Torr

4: 58 percent / CsF / dimethylsulfoxide / 12 h / 80 °C

With lithium aluminium tetrahydride; hydrogen; triethylamine; cesium fluoride; palladium dihydroxide; In tetrahydrofuran; ethanol; dimethyl sulfoxide;
DOI:10.1055/s-1998-2185