1,1-Dimethylethyl 4-[4-[4-[(hydroxyamino)iminomethyl]phenyl]-1-piperazinyl]-1-piperidineacetate

Base Information

Chemical Name:1,1-Dimethylethyl 4-[4-[4-[(hydroxyamino)iminomethyl]phenyl]-1-piperazinyl]-1-piperidineacetate
CAS No.:149554-31-4
Molecular Formula:C₂₂H₃₅N₅O₃
Molecular Weight:417.552
Hs Code.:
DSSTox Substance ID:DTXSID101117013

Synonyms:DTXSID101117013;1,1-Dimethylethyl 4-[4-[4-[(hydroxyamino)iminomethyl]phenyl]-1-piperazinyl]-1-piperidineacetate;149554-31-4

Suppliers and Price of 1,1-Dimethylethyl 4-[4-[4-[(hydroxyamino)iminomethyl]phenyl]-1-piperazinyl]-1-piperidineacetate

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 4-[4-[4-[(hydroxyamino)iminomethyl]phenyl]-1-piperazinyl]-1-piperidineacetate

Chemical Property:

XLogP3:2.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:7
Exact Mass:417.27399000
Heavy Atom Count:30
Complexity:582

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC(C)(C)OC(=O)CN1CCC(CC1)N2CCN(CC2)C3=CC=C(C=C3)C(=NO)N
Isomeric SMILES:CC(C)(C)OC(=O)CN1CCC(CC1)N2CCN(CC2)C3=CC=C(C=C3)/C(=N/O)/N

Technology Process of 1,1-Dimethylethyl 4-[4-[4-[(hydroxyamino)iminomethyl]phenyl]-1-piperazinyl]-1-piperidineacetate

There total 7 articles about 1,1-Dimethylethyl 4-[4-[4-[(hydroxyamino)iminomethyl]phenyl]-1-piperazinyl]-1-piperidineacetate 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: 87.0%

: 149554-04-1
{4-[4-(4-Cyano-phenyl)-piperazin-1-yl]-piperidin-1-yl}-acetic acid tert-butyl ester

: 149554-31-4
(4-{4-[4-(N-Hydroxycarbamimidoyl)-phenyl]-piperazin-1-yl}-piperidin-1-yl)-acetic acid tert-butyl ester

Guidance literature:: With hydroxylamine hydrochloride; potassium tert-butylate; In methanol; at 45 - 50 ℃;
DOI:10.1021/jm00049a006

Reference yield:

: 107-59-5
tert-Butyl chloroacetate

: 149554-31-4
(4-{4-[4-(N-Hydroxycarbamimidoyl)-phenyl]-piperazin-1-yl}-piperidin-1-yl)-acetic acid tert-butyl ester

Guidance literature:: Multi-step reaction with 3 steps

1: 90 percent / K₂CO₃ / acetonitrile / Heating

2: 91 percent / NaBH(OAc)3, AcOH / CH₂Cl₂ / Ambient temperature

3: 87 percent / NH₂OH*HCl, KOtBu / methanol / 45 - 50 °C

With hydroxylamine hydrochloride; potassium tert-butylate; sodium tris(acetoxy)borohydride; potassium carbonate; acetic acid; In methanol; dichloromethane; acetonitrile;
DOI:10.1021/jm00049a006

Reference yield:

: 1194-02-1,143234-87-1
4-fluorobenzonitrile

: 149554-31-4
(4-{4-[4-(N-Hydroxycarbamimidoyl)-phenyl]-piperazin-1-yl}-piperidin-1-yl)-acetic acid tert-butyl ester

Guidance literature:: Multi-step reaction with 3 steps

1: 95 percent / K₂CO₃ / toluene / Heating

2: 91 percent / NaBH(OAc)3, AcOH / CH₂Cl₂ / Ambient temperature

3: 87 percent / NH₂OH*HCl, KOtBu / methanol / 45 - 50 °C

With hydroxylamine hydrochloride; potassium tert-butylate; sodium tris(acetoxy)borohydride; potassium carbonate; acetic acid; In methanol; dichloromethane; toluene;
DOI:10.1021/jm00049a006