1,1-Dimethylethyl (2S)-2-(3-oxobutyl)-1-pyrrolidinecarboxylate

Base Information

Chemical Name:1,1-Dimethylethyl (2S)-2-(3-oxobutyl)-1-pyrrolidinecarboxylate
CAS No.:445432-06-4
Molecular Formula:C₁₃H₂₃NO₃
Molecular Weight:241.331
Hs Code.:
DSSTox Substance ID:DTXSID301176829
Nikkaji Number:J1.727.576C

Synonyms:SCHEMBL25969764;DTXSID301176829;445432-06-4;1,1-Dimethylethyl (2S)-2-(3-oxobutyl)-1-pyrrolidinecarboxylate

Suppliers and Price of 1,1-Dimethylethyl (2S)-2-(3-oxobutyl)-1-pyrrolidinecarboxylate

Supply Marketing:

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

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Chemical Property of 1,1-Dimethylethyl (2S)-2-(3-oxobutyl)-1-pyrrolidinecarboxylate

Chemical Property:

XLogP3:1.7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:241.16779360
Heavy Atom Count:17
Complexity:294

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC(=O)CCC1CCCN1C(=O)OC(C)(C)C
Isomeric SMILES:CC(=O)CC[C@@H]1CCCN1C(=O)OC(C)(C)C

Technology Process of 1,1-Dimethylethyl (2S)-2-(3-oxobutyl)-1-pyrrolidinecarboxylate

There total 1 articles about 1,1-Dimethylethyl (2S)-2-(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:

: 86953-79-9
tert-butyl pyrrolidine-1-carboxylate

: 78-94-4,25038-87-3
methyl vinyl ketone

: 445432-06-4
tert-butyl (S)-2-(3-oxobutyl)pyrrolidine-1-carboxylate

: 2-(3-oxo-butyl)-pyrrolidine-1-carboxylic acid tert-butyl ester

Guidance literature:: tert-butyl pyrrolidine-1-carboxylate; With sec.-butyllithium; (-)-sparteine; In diethyl ether; at -78 ℃; for 1h;

With lithium chloride; In tetrahydrofuran; diethyl ether; at -78 ℃; for 1h;

methyl vinyl ketone; With chloro-trimethyl-silane; In tetrahydrofuran; diethyl ether; at -78 - 25 ℃; for 42h; Title compound not separated from byproducts;
DOI:10.1021/jo035845i

Reference yield: 69.26%

: 100-58-3
phenylmagnesium bromide

: 445432-06-4
tert-butyl (S)-2-(3-oxobutyl)pyrrolidine-1-carboxylate

: C₁₉H₂₉NO₃

Guidance literature:: In tetrahydrofuran; at 0 - 20 ℃; for 1h;

Reference yield:

: 445432-06-4
tert-butyl (S)-2-(3-oxobutyl)pyrrolidine-1-carboxylate

: (R)-7-Methyl-1-((E)-styryl)-1-aza-spiro[4.4]non-6-ene

Guidance literature:: Multi-step reaction with 5 steps

1: 70 percent / KHMDS / tetrahydrofuran

2: 100 percent / TFA / CH₂Cl₂ / 20 °C

3: 70 percent / AcOH; NaBH(OAc)3 / tetrahydrofuran

4: 64 percent / KHMDS / diethyl ether / 20 °C

5: 41 percent / cyclic Pd-compound / acetonitrile; dimethylformamide; H₂O / 2 h / 120 °C

With potassium hexamethylsilazane; sodium tris(acetoxy)borohydride; acetic acid; trifluoroacetic acid; cyclic Pd-compound; In tetrahydrofuran; diethyl ether; dichloromethane; water; N,N-dimethyl-formamide; acetonitrile;
DOI:10.1016/S0040-4039(02)01219-4