8-[(1,1-Dimethylethoxy)carbonyl]-4-oxo-1-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-3-acetic acid

Base Information

Chemical Name:8-[(1,1-Dimethylethoxy)carbonyl]-4-oxo-1-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-3-acetic acid
CAS No.:180386-40-7
Molecular Formula:C₂₂H₃₁N₃O₅
Molecular Weight:417.505
Hs Code.:
DSSTox Substance ID:DTXSID501114611

Synonyms:DTXSID501114611;180386-40-7;8-[(1,1-Dimethylethoxy)carbonyl]-4-oxo-1-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-3-acetic acid

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Chemical Property of 8-[(1,1-Dimethylethoxy)carbonyl]-4-oxo-1-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-3-acetic acid

Chemical Property:

XLogP3:0.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:7
Exact Mass:417.22637110
Heavy Atom Count:30
Complexity:646

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC(C)(C)OC(=O)N1CCC2(CC1)C(=O)N(CN2CCC3=CC=CC=C3)CC(=O)O

Technology Process of 8-[(1,1-Dimethylethoxy)carbonyl]-4-oxo-1-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-3-acetic acid

There total 16 articles about 8-[(1,1-Dimethylethoxy)carbonyl]-4-oxo-1-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-3-acetic acid 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: 93.0%

: 180386-34-9
3-Methoxycarbonylmethyl-4-oxo-1-phenethyl-1,3,8-triaza-spiro[4.5]decane-8-carboxylic acid tert-butyl ester

: 180386-40-7
1-(2-phenylethyl)-8-Boc-1,3,8-triazaspiro[4.5]decan-4-one-3-acetic acid

Guidance literature:: With sodium carbonate; In methanol; water; for 3h; Heating;
DOI:10.1021/jm950676i

Reference yield:

: 288154-16-5
4-(Benzyloxycarbonylamino)-1-(tert-butoxycarbonyl)-piperidine-4-carboxylic Acid

: 180386-40-7
1-(2-phenylethyl)-8-Boc-1,3,8-triazaspiro[4.5]decan-4-one-3-acetic acid

Guidance literature:: Multi-step reaction with 8 steps

1.1: NMM / 1,2-dimethoxy-ethane / 0.08 h / -15 °C

2.1: aq. NH₃ / 1,2-dimethoxy-ethane / 1 h / 20 °C

3.1: 100 percent / aq. HCl / 10percent Pd/C / ethanol / 20 °C

4.1: 62 percent / NaBH₃CN; AcOH / methanol / 1 h / 20 °C

5.1: 85 percent / AcOH / toluene / 15 h / Heating

6.1: 96 percent / NaBH₄ / ethanol / 4 h / 80 °C

7.1: NaH / dimethylformamide / 0.25 h / 0 °C

7.2: dimethylformamide / 5 h / 20 °C

8.1: aq. HCl

With 4-methyl-morpholine; hydrogenchloride; ammonium hydroxide; sodium tetrahydroborate; sodium hydride; sodium cyanoborohydride; acetic acid; 10percent Pd/C; In methanol; 1,2-dimethoxyethane; ethanol; N,N-dimethyl-formamide; toluene; 1.1: Acylation / 2.1: ammonolysis / 3.1: Hydrogenolysis / 4.1: reductive amination / 5.1: Cyclization / 6.1: Reduction / 7.1: Metallation / 7.2: Alkylation / 8.1: Hydrolysis;
DOI:10.1021/jm990962k

Reference yield:

: 288154-17-6
1-Boc-4-[Z-amino]piperidine-4-carboxamide

: 180386-40-7
1-(2-phenylethyl)-8-Boc-1,3,8-triazaspiro[4.5]decan-4-one-3-acetic acid

Guidance literature:: Multi-step reaction with 6 steps

1.1: 100 percent / aq. HCl / 10percent Pd/C / ethanol / 20 °C

2.1: 62 percent / NaBH₃CN; AcOH / methanol / 1 h / 20 °C

3.1: 85 percent / AcOH / toluene / 15 h / Heating

4.1: 96 percent / NaBH₄ / ethanol / 4 h / 80 °C

5.1: NaH / dimethylformamide / 0.25 h / 0 °C

5.2: dimethylformamide / 5 h / 20 °C

6.1: aq. HCl

With hydrogenchloride; sodium tetrahydroborate; sodium hydride; sodium cyanoborohydride; acetic acid; 10percent Pd/C; In methanol; ethanol; N,N-dimethyl-formamide; toluene; 1.1: Hydrogenolysis / 2.1: reductive amination / 3.1: Cyclization / 4.1: Reduction / 5.1: Metallation / 5.2: Alkylation / 6.1: Hydrolysis;
DOI:10.1021/jm990962k