Phenyl-pyrrolidin-1-yl-acetic acid hydrochloride

Base Information

• Chemical Name: Phenyl-pyrrolidin-1-yl-acetic acid hydrochloride
• CAS No.: 100390-49-6
• Molecular Formula: C₁₂H₁₅NO₂*ClH
• Molecular Weight: 241.718
• Hs Code.: 2933998090
• ChEMBL ID: CHEMBL1366052
• Mol file: 100390-49-6.mol

Synonyms:100390-49-6;Phenyl-pyrrolidin-1-yl-acetic acid hydrochloride;2-phenyl-2-(pyrrolidin-1-yl)acetic acid hydrochloride;2-phenyl-2-pyrrolidin-1-ylacetic acid;hydrochloride;MLS000070943;Phenyl-pyrrolidin-1-yl-acetic acidhydrochloride;CHEMBL1366052;SCHEMBL15063253;YSRMMTTWXDLPCV-UHFFFAOYSA-N;MFCD06801210;AKOS015844238;alpha-Phenyl-1-pyrrolidineacetic acid HCl;SMR000014781;CS-0439618;Phenylpyrrolidin-1-ylacetic acid hydrochloride;SR-01000323416;2-phenyl-2-(pyrrolidin-1-yl)aceticacidhydrochloride;SR-01000323416-1

Chemical Property of Phenyl-pyrrolidin-1-yl-acetic acid hydrochloride

Chemical Property:

• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 241.0869564
• Heavy Atom Count: 16
• Complexity: 218

Purity/Quality:

97% ^*data from raw suppliers

PHENYL-PYRROLIDIN-1-YL-ACETIC ACID HYDROCHLORIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

Useful:

• Canonical SMILES: C1CCN(C1)C(C2=CC=CC=C2)C(=O)O.Cl

Technology Process of Phenyl-pyrrolidin-1-yl-acetic acid hydrochloride

There total 5 articles about Phenyl-pyrrolidin-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: 79.0%

ethyl 2-phenyl-2-(pyrrolidin-1-yl)acetate (22083-21-2) → 2-phenyl-2-(pyrrolidin-1-yl)acetic acid hydrochloride (100390-49-6)

Guidance literature:

With hydrogenchloride; water; In 1,4-dioxane; Reflux;

Reference yield:

ethyl 2-phenyl-2-bromoacetate (2882-19-1,2216-90-2) → 2-phenyl-2-(pyrrolidin-1-yl)acetic acid hydrochloride (100390-49-6)

Guidance literature:

Multi-step reaction with 2 steps

1: N-ethyl-N,N-diisopropylamine / acetonitrile / 1.5 h / 20 °C

2: hydrogenchloride; water / 1,4-dioxane / Reflux

With hydrogenchloride; water; N-ethyl-N,N-diisopropylamine; In 1,4-dioxane; acetonitrile;

Reference yield:

methyl 2-phenyl-2-(pyrrolidin-1-yl)acetate (100609-39-0) → 2-phenyl-2-(pyrrolidin-1-yl)acetic acid hydrochloride (100390-49-6)

Guidance literature:

With hydrogenchloride;

upstream raw materials:

methyl 2-phenyl-2-(pyrrolidin-1-yl)acetate

methyl 2-chloro-2-phenylethanoate

(RS)-methyl mandelate

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

Downstream raw materials:

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

(3R)-1-(2-oxo-2-phenylethyl)-3-(2-phenyl-2-(pyrrolidin-1-yl)acetoxy)-1-azoniabicyclo[2.2.2]octane chloride