N-[3-(1,1-Dimethylethoxy)-3-oxopropyl]-N-(phenylmethyl)-beta-alanine 1,1-dimethylethyl ester

Base Information

Chemical Name:N-[3-(1,1-Dimethylethoxy)-3-oxopropyl]-N-(phenylmethyl)-beta-alanine 1,1-dimethylethyl ester
CAS No.:377087-69-9
Molecular Formula:C₂₁H₃₃NO₄
Molecular Weight:363.497
Hs Code.:
DSSTox Substance ID:DTXSID801123120

Synonyms:SCHEMBL801661;DTXSID801123120;377087-69-9;N-[3-(1,1-Dimethylethoxy)-3-oxopropyl]-N-(phenylmethyl)-beta-alanine 1,1-dimethylethyl ester

Suppliers and Price of N-[3-(1,1-Dimethylethoxy)-3-oxopropyl]-N-(phenylmethyl)-beta-alanine 1,1-dimethylethyl ester

Supply Marketing:

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

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 0 raw suppliers

Chemical Property of N-[3-(1,1-Dimethylethoxy)-3-oxopropyl]-N-(phenylmethyl)-beta-alanine 1,1-dimethylethyl ester

Chemical Property:

XLogP3:3.4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:12
Exact Mass:363.24095853
Heavy Atom Count:26
Complexity:410

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)(C)OC(=O)CCN(CCC(=O)OC(C)(C)C)CC1=CC=CC=C1

Technology Process of N-[3-(1,1-Dimethylethoxy)-3-oxopropyl]-N-(phenylmethyl)-beta-alanine 1,1-dimethylethyl ester

There total 1 articles about N-[3-(1,1-Dimethylethoxy)-3-oxopropyl]-N-(phenylmethyl)-beta-alanine 1,1-dimethylethyl 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: 90.0%

: 1663-39-4,25232-27-3
tert-Butyl acrylate

: 100-46-9
benzylamine

: 377087-69-9
di-tert-butyl 3,3‘-(benzylazanediyl)dipropanoate

Guidance literature:: With ytterbium(III) triflate; at 100 ℃; for 2h;
DOI:10.1016/j.tetlet.2005.01.026

Reference yield: 100.0%

: 377087-69-9
di-tert-butyl 3,3‘-(benzylazanediyl)dipropanoate

: 128988-04-5
di-tert-butyl 3,3’-azanediyldipropanoate

Guidance literature:: With hydrogen; palladium dihydroxide; In methanol; water;
DOI:10.1016/j.tetlet.2005.01.026

Reference yield:

: 377087-69-9
di-tert-butyl 3,3‘-(benzylazanediyl)dipropanoate

: (S)-methyl 2-((2R,3R)-3-((S)-1-((14S,17S,20S,23S,24R)-23-((S)-sec-butyl)-17,20-diisopropyl-24-methoxy-14,16,22-trimethyl-6,12,15,18,21-pentaoxo-9-propioloyl-2-oxa-5,9,13,16,19,22-hexaazahexacosan-26-oyl)pyrrolidin-2-yl)-3-methoxy-2-methylpropanamido)-3-phenylpropanoate

Guidance literature:: Multi-step reaction with 5 steps

1: palladium 10% on activated carbon; hydrogen / methanol

2: bromo-tris(1-pyrrolidinyl)phosphonium hexafluorophosphate; N-ethyl-N,N-diisopropylamine / N,N-dimethyl-formamide / 1.67 h / 0 - 20 °C

3: trifluoroacetic acid / dichloromethane / 0.5 h / 20 °C

4: bromo-tris(1-pyrrolidinyl)phosphonium hexafluorophosphate; N-ethyl-N,N-diisopropylamine / N,N-dimethyl-formamide / 1.17 h / 0 - 20 °C

5: bromo-tris(1-pyrrolidinyl)phosphonium hexafluorophosphate; N-ethyl-N,N-diisopropylamine / N,N-dimethyl-formamide / 1.17 h / 0 - 20 °C

With palladium 10% on activated carbon; hydrogen; N-ethyl-N,N-diisopropylamine; bromo-tris(1-pyrrolidinyl)phosphonium hexafluorophosphate; trifluoroacetic acid; In methanol; dichloromethane; N,N-dimethyl-formamide;