(S)-2-Benzylbutanedioic acid 1-benzyl 4-tert-butyl ester

Base Information

Chemical Name:(S)-2-Benzylbutanedioic acid 1-benzyl 4-tert-butyl ester
CAS No.:131288-25-0
Molecular Formula:C22H26O4
Molecular Weight:354.446
Hs Code.:
DSSTox Substance ID:DTXSID601149398
Nikkaji Number:J983.441I

Synonyms:DTXSID601149398;(S)-2-Benzylbutanedioic acid 1-benzyl 4-tert-butyl ester;4-(1,1-Dimethylethyl) 1-(phenylmethyl) (2S)-2-(phenylmethyl)butanedioate;131288-25-0

Suppliers and Price of (S)-2-Benzylbutanedioic acid 1-benzyl 4-tert-butyl ester

Supply Marketing:

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

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Chemical Property of (S)-2-Benzylbutanedioic acid 1-benzyl 4-tert-butyl ester

Chemical Property:

XLogP3:4.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:10
Exact Mass:354.18310931
Heavy Atom Count:26
Complexity:440

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC(C)(C)OC(=O)CC(CC1=CC=CC=C1)C(=O)OCC2=CC=CC=C2
Isomeric SMILES:CC(C)(C)OC(=O)C[C@H](CC1=CC=CC=C1)C(=O)OCC2=CC=CC=C2

Technology Process of (S)-2-Benzylbutanedioic acid 1-benzyl 4-tert-butyl ester

There total 4 articles about (S)-2-Benzylbutanedioic acid 1-benzyl 4-tert-butyl ester 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: 94.0%

: 215373-19-6
(S)-3-Benzyl-4-oxo-4-((R)-3,3,5-trimethyl-2-oxo-pyrrolidin-1-yl)-butyric acid tert-butyl ester

: 100-51-6,185532-71-2
benzyl alcohol

: 131288-25-0
Benzyl (2S)-2-Benzyl-3-t-butoxycarbonyl Propionate

Guidance literature:: With n-butyllithium; In tetrahydrofuran; 1.) -78 deg C to 0 deg C, 10 min, 2.) 0 deg C, 1 h;
DOI:10.1039/a804660c

Reference yield:

aqueous NH₄ Cl: aqueous NH₄ Cl

: 131288-24-9
(4R,5S)-3[(2S)-3t-butoxycarbonyl-2-benzylpropionyl]-4-methyl-5-phenyl-oxazolidine-2-one

: 131288-25-0
Benzyl (2S)-2-Benzyl-3-t-butoxycarbonyl Propionate

Guidance literature:: With n-butyllithium; benzyl alcohol; In tetrahydrofuran; hexane;

Reference yield:

: 5292-43-3
bromoacetic acid tert-butyl ester

: 131288-25-0
Benzyl (2S)-2-Benzyl-3-t-butoxycarbonyl Propionate

Guidance literature:: Multi-step reaction with 2 steps

1: 79 percent / LDA / tetrahydrofuran / 1.) -78 deg C, 1 h, 2.) -78 deg C to r.t., overnight

2: 94 percent / BuLi / tetrahydrofuran / 1.) -78 deg C to 0 deg C, 10 min, 2.) 0 deg C, 1 h

With n-butyllithium; lithium diisopropyl amide; In tetrahydrofuran;
DOI:10.1039/a804660c