1-(1,1-Dimethylethyl) 4-[4-[4-[(2S)-2-carboxy-2-[[(phenylmethoxy)carbonyl]amino]ethyl]phenoxy]butyl]-1-piperidinecarboxylate

Base Information

Chemical Name:1-(1,1-Dimethylethyl) 4-[4-[4-[(2S)-2-carboxy-2-[[(phenylmethoxy)carbonyl]amino]ethyl]phenoxy]butyl]-1-piperidinecarboxylate
CAS No.:142355-84-8
Molecular Formula:C₃₁H₄₂N₂O₇
Molecular Weight:554.684
Hs Code.:
DSSTox Substance ID:DTXSID401103990

Synonyms:SCHEMBL7986551;DTXSID401103990;1-(1,1-Dimethylethyl) 4-[4-[4-[(2S)-2-carboxy-2-[[(phenylmethoxy)carbonyl]amino]ethyl]phenoxy]butyl]-1-piperidinecarboxylate;142355-84-8

Suppliers and Price of 1-(1,1-Dimethylethyl) 4-[4-[4-[(2S)-2-carboxy-2-[[(phenylmethoxy)carbonyl]amino]ethyl]phenoxy]butyl]-1-piperidinecarboxylate

Supply Marketing:

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

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Chemical Property of 1-(1,1-Dimethylethyl) 4-[4-[4-[(2S)-2-carboxy-2-[[(phenylmethoxy)carbonyl]amino]ethyl]phenoxy]butyl]-1-piperidinecarboxylate

Chemical Property:

XLogP3:5.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:15
Exact Mass:554.29920168
Heavy Atom Count:40
Complexity:777

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC(C)(C)OC(=O)N1CCC(CC1)CCCCOC2=CC=C(C=C2)CC(C(=O)O)NC(=O)OCC3=CC=CC=C3
Isomeric SMILES:CC(C)(C)OC(=O)N1CCC(CC1)CCCCOC2=CC=C(C=C2)C[C@@H](C(=O)O)NC(=O)OCC3=CC=CC=C3

Technology Process of 1-(1,1-Dimethylethyl) 4-[4-[4-[(2S)-2-carboxy-2-[[(phenylmethoxy)carbonyl]amino]ethyl]phenoxy]butyl]-1-piperidinecarboxylate

There total 18 articles about 1-(1,1-Dimethylethyl) 4-[4-[4-[(2S)-2-carboxy-2-[[(phenylmethoxy)carbonyl]amino]ethyl]phenoxy]butyl]-1-piperidinecarboxylate 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%

: 1164-16-5
Z-L-Tyr-OH

: 142355-81-5
tert-butyl 4-(4-bromobutyl)piperidine-1-carboxylate

: 142355-84-8
4-{4-[4-((S)-2-Benzyloxycarbonylamino-2-carboxy-ethyl)-phenoxy]-butyl}-piperidine-1-carboxylic acid tert-butyl ester

Guidance literature:: With sodium hydride; In N,N-dimethyl-formamide;
DOI:10.1021/ol010282n

Reference yield: 53.0%

: 1164-16-5
Z-L-Tyr-OH

: 464175-20-0
4-(4-chlorobutyl)piperidine-1-carboxylic acid tert-butyl ester

: 142355-84-8
4-{4-[4-((S)-2-Benzyloxycarbonylamino-2-carboxy-ethyl)-phenoxy]-butyl}-piperidine-1-carboxylic acid tert-butyl ester

Guidance literature:: With sodium hydride; potassium iodide; In N,N-dimethyl-formamide; at 40 - 45 ℃; for 72h;
DOI:10.1006/bioo.2001.1227

Reference yield:

: 2629-72-3
4-(3-Hydroxypropyl)pyridine

: 142355-84-8
4-{4-[4-((S)-2-Benzyloxycarbonylamino-2-carboxy-ethyl)-phenoxy]-butyl}-piperidine-1-carboxylic acid tert-butyl ester

Guidance literature:: Multi-step reaction with 7 steps

1.1: 90 percent / H₂; AcOH / 10percent Pd/C / 20 °C / 2585.81 Torr

2.1: 92 percent / 1N NaOH / dioxane

3.1: 95 percent / (COCl)2; DMSO / CH₂Cl₂ / -78 °C

4.1: 40 percent / tetrahydrofuran

5.1: BH₃*THF

5.2: 90 percent / H₂O₂; NaOH

6.1: 80 percent / CBr₄; PPh₃ / CH₂Cl₂

7.1: 90 percent / NaH / dimethylformamide

With sodium hydroxide; borane-THF; oxalyl dichloride; carbon tetrabromide; hydrogen; sodium hydride; acetic acid; dimethyl sulfoxide; triphenylphosphine; 10percent Pd/C; In tetrahydrofuran; 1,4-dioxane; dichloromethane; N,N-dimethyl-formamide; 3.1: Swern oxidation / 4.1: Wittig reaction;
DOI:10.1021/ol010282n