2-Phenyl-2-(piperidin-1-yl)acetic acid hydrochloride

Base Information

• Chemical Name: 2-Phenyl-2-(piperidin-1-yl)acetic acid hydrochloride
• CAS No.: 107416-50-2
• Molecular Formula: C13H18ClNO2
• Molecular Weight: 255.744
• ChEMBL ID: CHEMBL1595579
• DSSTox Substance ID: DTXSID20583264
• NSC Number: 14780
• Mol file: 107416-50-2.mol

Synonyms:107416-50-2;2-phenyl-2-(piperidin-1-yl)acetic acid hydrochloride;Phenyl-piperidin-1-yl-acetic acid hydrochloride;2-Phenyl-2-piperidin-1-ylacetic acid;hydrochloride;2-Phenyl-2-(piperidin-1-yl)-acetic acid hydrochloride;phenyl(piperidin-1-yl)acetic acid;MLS000716151;SCHEMBL2988022;CHEMBL1595579;DTXSID20583264;MULQQZUACAAXSJ-UHFFFAOYSA-N;NSC14780;phenylpiperidin-1-ylacetic acid HCl;MFCD06801198;NSC-14780;AKOS015844239;Phenyl-piperidin-1-yl-acetic acid HCl;SB30488;SMR000277668;CS-0037879;phenyl(1-piperidinyl)acetic acid hydrochloride;W10608;Phenyl-piperidin-1-yl-acetic acid;SR-01000370574;2-phenyl-2-(piperidin-1-yl)aceticacid hydrochloride;2-phenyl-2-(piperidin-1-yl)aceticacidhydrochloride;SR-01000370574-1;Phenyl(piperidin-1-yl)acetic acid--hydrogen chloride (1/1)

Chemical Property of 2-Phenyl-2-(piperidin-1-yl)acetic acid hydrochloride

Chemical Property:

• PSA: 40.54000
• LogP: 3.03810
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 255.1026065
• Heavy Atom Count: 17
• Complexity: 230

Purity/Quality:

97% ^*data from raw suppliers

2-Phenyl-2-piperidin-1-ylaceticAcidHydrochloride ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCN(CC1)C(C2=CC=CC=C2)C(=O)O.Cl

Technology Process of 2-Phenyl-2-(piperidin-1-yl)acetic acid hydrochloride

There total 6 articles about 2-Phenyl-2-(piperidin-1-yl)acetic acid hydrochloride 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: 100.0%

ethyl 2-phenyl-2-(piperidin-1-yl)acetate (7550-06-3) → 2-phenyl-2-(piperidin-1-yl)acetic acid hydrochloride (107416-50-2)

Guidance literature:

With hydrogenchloride; water; at 120 ℃; for 2h; Sealed tube; Microwave irradiation;

DOI:10.1016/j.bmc.2014.06.027

Reference yield: 77.0%

2-phenyl-2-piperidinoacetonitrile (5766-79-0) → 2-phenyl-2-(piperidin-1-yl)acetic acid hydrochloride (107416-50-2)

Guidance literature:

With hydrogenchloride; In water; for 24h; Reflux;

DOI:10.1002/anie.201807735

Reference yield:

C14H23NOSi → 2-phenyl-2-(piperidin-1-yl)acetic acid hydrochloride (107416-50-2)

Guidance literature:

Multi-step reaction with 2 steps

1: ethyl acetate / 2 h / 20 °C / Sealed tube; Inert atmosphere

2: hydrogenchloride / water / 24 h / Reflux

With hydrogenchloride; In water; ethyl acetate;

DOI:10.1002/anie.201807735

upstream raw materials:

ethyl 2-phenyl-2-(piperidin-1-yl)acetate

2-phenyl-2-piperidinoacetonitrile

N-benzoylpiperidine

benzoyl chloride

Downstream raw materials:

(R)-quinuclidin-3-yl 2-phenyl-2-(piperidin-1-yl)acetate