1,1-Dimethylethyl 4-[2-(4-fluorophenyl)-2-hydroxyethyl]-1-piperidinecarboxylate

Base Information

Chemical Name:1,1-Dimethylethyl 4-[2-(4-fluorophenyl)-2-hydroxyethyl]-1-piperidinecarboxylate
CAS No.:639468-66-9
Molecular Formula:C18H26FNO3
Molecular Weight:323.408
Hs Code.:
DSSTox Substance ID:DTXSID301136651

Synonyms:DTXSID301136651;1,1-Dimethylethyl 4-[2-(4-fluorophenyl)-2-hydroxyethyl]-1-piperidinecarboxylate;639468-66-9

Suppliers and Price of 1,1-Dimethylethyl 4-[2-(4-fluorophenyl)-2-hydroxyethyl]-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-Dimethylethyl 4-[2-(4-fluorophenyl)-2-hydroxyethyl]-1-piperidinecarboxylate

Chemical Property:

XLogP3:3.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:323.18967185
Heavy Atom Count:23
Complexity:380

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC(C)(C)OC(=O)N1CCC(CC1)CC(C2=CC=C(C=C2)F)O

Technology Process of 1,1-Dimethylethyl 4-[2-(4-fluorophenyl)-2-hydroxyethyl]-1-piperidinecarboxylate

There total 10 articles about 1,1-Dimethylethyl 4-[2-(4-fluorophenyl)-2-hydroxyethyl]-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:

: 145021-97-2
1-<(tert-butyloxy)carbonyl>-4-(2-(4-fluorophenyl)-2-oxoethyl)piperidine

: 639468-66-9
4-[2-(4-fluorophenyl)-2-hydroxyethyl]piperidine-1-carboxylic acid tert-butyl ester

Guidance literature:: With sodium tetrahydroborate; In methanol; water; at 45 - 50 ℃;
DOI:10.1021/jm0309349

Reference yield:

: 3612-20-2
1-phenylmethyl-4-piperidone

: 639468-66-9
4-[2-(4-fluorophenyl)-2-hydroxyethyl]piperidine-1-carboxylic acid tert-butyl ester

Guidance literature:: Multi-step reaction with 9 steps

1.1: NaH / benzene / 1 h

1.2: 41 g / benzene / 0.5 h / Heating

2.1: H₂ / Pd/C / ethanol / 48 h / 2280 Torr

3.1: aq. ammonium formate / ethanol / 2.5 h / Heating

3.2: 3 h / 100 °C

4.1: 3.5 g / aq. NaOH / 1 h / 20 °C

5.1: SOCl₂ / 4 h / 20 °C

6.1: AlCl₃ / 1,2-dichloro-ethane / Heating

7.1: aq. HCl / Heating

8.1: aq. NaHCO₃ / 20 °C

9.1: NaBH₄ / methanol; H₂O / 45 - 50 °C

With hydrogenchloride; sodium hydroxide; sodium tetrahydroborate; aluminium trichloride; thionyl chloride; hydrogen; ammonium formate; sodium hydride; sodium hydrogencarbonate; palladium on activated charcoal; In methanol; ethanol; water; 1,2-dichloro-ethane; benzene; 1.2: Wittig-Horner-Emmons reaction / 6.1: Friedel-Crafts reaction;
DOI:10.1021/jm0309349

Reference yield:

: 40110-55-2
ethyl 2-(1-benzylpiperidine-4-ylidene)acetate

: 639468-66-9
4-[2-(4-fluorophenyl)-2-hydroxyethyl]piperidine-1-carboxylic acid tert-butyl ester

Guidance literature:: Multi-step reaction with 8 steps

1.1: H₂ / Pd/C / ethanol / 48 h / 2280 Torr

2.1: aq. ammonium formate / ethanol / 2.5 h / Heating

2.2: 3 h / 100 °C

3.1: 3.5 g / aq. NaOH / 1 h / 20 °C

4.1: SOCl₂ / 4 h / 20 °C

5.1: AlCl₃ / 1,2-dichloro-ethane / Heating

6.1: aq. HCl / Heating

7.1: aq. NaHCO₃ / 20 °C

8.1: NaBH₄ / methanol; H₂O / 45 - 50 °C

With hydrogenchloride; sodium hydroxide; sodium tetrahydroborate; aluminium trichloride; thionyl chloride; hydrogen; ammonium formate; sodium hydrogencarbonate; palladium on activated charcoal; In methanol; ethanol; water; 1,2-dichloro-ethane; 5.1: Friedel-Crafts reaction;
DOI:10.1021/jm0309349