Phenylmethyl 2-(2-acetyl-3-oxobutyl)-1-pyrrolidinecarboxylate

Base Information

Chemical Name:Phenylmethyl 2-(2-acetyl-3-oxobutyl)-1-pyrrolidinecarboxylate
CAS No.:86954-07-6
Molecular Formula:C₁₈H₂₃NO₄
Molecular Weight:317.385
Hs Code.:
DSSTox Substance ID:DTXSID201180962

Synonyms:DTXSID201180962;Phenylmethyl 2-(2-acetyl-3-oxobutyl)-1-pyrrolidinecarboxylate;86954-07-6

Suppliers and Price of Phenylmethyl 2-(2-acetyl-3-oxobutyl)-1-pyrrolidinecarboxylate

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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 Phenylmethyl 2-(2-acetyl-3-oxobutyl)-1-pyrrolidinecarboxylate

Chemical Property:

XLogP3:2.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:7
Exact Mass:317.16270821
Heavy Atom Count:23
Complexity:428

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC(=O)C(CC1CCCN1C(=O)OCC2=CC=CC=C2)C(=O)C

Technology Process of Phenylmethyl 2-(2-acetyl-3-oxobutyl)-1-pyrrolidinecarboxylate

There total 3 articles about Phenylmethyl 2-(2-acetyl-3-oxobutyl)-1-pyrrolidinecarboxylate 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: 59.0%

: 86954-06-5
N-<(Benzyloxy)carbonyl>-2-(bromomethyl)pyrrolidine

: 123-54-6,81235-32-7
acetylacetone

: 86954-07-6
N-<(Benzyloxy)carbonyl>-2-(2-acetyl-3-oxobutyl)pyrrolidine

Guidance literature:: With potassium carbonate; potassium iodide; In N,N-dimethyl-formamide; at 60 ℃; for 24h;
DOI:10.1021/jo00170a037

Reference yield:

: 86954-05-4
(S)-2-hydroxymethyl-1-pyrrolidine carboxylic acid phenylmethyl ester

: 86954-07-6
N-<(Benzyloxy)carbonyl>-2-(2-acetyl-3-oxobutyl)pyrrolidine

Guidance literature:: Multi-step reaction with 2 steps

1: 60 percent / CBr₄, PPh₃ / acetonitrile / Ambient temperature

2: 59 percent / K₂CO₃, KI / dimethylformamide / 24 h / 60 °C

With carbon tetrabromide; potassium carbonate; triphenylphosphine; potassium iodide; In N,N-dimethyl-formamide; acetonitrile;
DOI:10.1021/jo00170a037

Reference yield:

: 1148-11-4
N-carbobenzyloxyproline

: 86954-07-6
N-<(Benzyloxy)carbonyl>-2-(2-acetyl-3-oxobutyl)pyrrolidine

Guidance literature:: Multi-step reaction with 3 steps

1: 92 percent / NEt₃, ClOOEt, NaBH₄ / tetrahydrofuran / 0.83 h / -10 °C

2: 60 percent / CBr₄, PPh₃ / acetonitrile / Ambient temperature

3: 59 percent / K₂CO₃, KI / dimethylformamide / 24 h / 60 °C

With sodium tetrahydroborate; carbon tetrabromide; ClOOEt; potassium carbonate; triethylamine; triphenylphosphine; potassium iodide; In tetrahydrofuran; N,N-dimethyl-formamide; acetonitrile;
DOI:10.1021/jo00170a037