4-(2-Pyrrolidin-1-ylethoxy)benzoic acid hydrochloride

Base Information

• Chemical Name: 4-(2-Pyrrolidin-1-ylethoxy)benzoic acid hydrochloride
• CAS No.: 63675-90-1
• Molecular Formula: C13H17NO3.ClH
• Molecular Weight: 271.744
• DSSTox Substance ID: DTXSID00524812

Synonyms:63675-90-1;4-(2-pyrrolidin-1-ylethoxy)benzoic acid hydrochloride;4-(2-Pyrrolidin-1-ylethoxy)benzoic acid;hydrochloride;Benzoic acid, 4-[2-(1-pyrrolidinyl)ethoxy]-, hydrochloride;SCHEMBL227699;DTXSID00524812;XNMKFQBPOAJCFS-UHFFFAOYSA-N;4-(2-pyrrolidinoethoxy)benzoic acid, hydrochloride;A1-05418;4-[2-(1-pyrrolidinyl)-ethoxy]benzoic acid hydrochloride;4-[2-(Pyrrolidin-1-yl)ethoxy]benzoic acid--hydrogen chloride (1/1)

Chemical Property of 4-(2-Pyrrolidin-1-ylethoxy)benzoic acid hydrochloride

Chemical Property:

• PSA: 49.77000
• LogP: 2.59930
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 271.0975211
• Heavy Atom Count: 18
• Complexity: 243

Purity/Quality:

4-(2-Pyrrolidin-1-ylethoxy)benzoic acid;hydrochloride 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCN(C1)CCOC2=CC=C(C=C2)C(=O)O.Cl

Technology Process of 4-(2-Pyrrolidin-1-ylethoxy)benzoic acid hydrochloride

There total 4 articles about 4-(2-Pyrrolidin-1-ylethoxy)benzoic 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: 96.0%

methyl 4-<2-(1-pyrrolidinyl)ethoxy>benzoate (63675-89-8) → 4-[2-(1-pyrrolidinyl)ethoxy]benzoic acid hydrochloride (63675-90-1)

Guidance literature:

In hydrogenchloride;

Reference yield:

ethyl 4-[2-(pyrrolidin-1-yl)ethoxy]benzoate → 4-[2-(1-pyrrolidinyl)ethoxy]benzoic acid hydrochloride (63675-90-1)

Guidance literature:

ethyl 4-[2-(pyrrolidin-1-yl)ethoxy]benzoate; With water; sodium hydroxide; In methanol; at 50 ℃; for 4h;

With hydrogenchloride;

Reference yield:

1-(2-chloroethyl)pyrrolidine hydrochloride (7250-67-1) → 4-[2-(1-pyrrolidinyl)ethoxy]benzoic acid hydrochloride (63675-90-1)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium carbonate / N,N-dimethyl-formamide / 2 h / 100 °C

2: sodium hydroxide; water / methanol / 4 h / 50 °C

With water; potassium carbonate; sodium hydroxide; In methanol; N,N-dimethyl-formamide;

upstream raw materials:

methyl 4-<2-(1-pyrrolidinyl)ethoxy>benzoate

1-(2-chloroethyl)pyrrolidine hydrochloride

Ethyl 4-hydroxybenzoate

Downstream raw materials:

4-[2-(1-pyrrolidinyl)ethoxy]benzoyl chloride

4-[2-(1-pyrrolidinyl)ethoxy]benzamide

6-methanesulfonyloxy-2-(4-methanesulfonyloxyphenyl)-3-[4-(2-pyrrolidinoethoxy)benzoyl]benzo[b]thiophene, hydrochloride

<6-acetoxy-2-(4-acetoxyphenyl)benzothien-3-yl><4-<2-(1-pyrrolidinyl)ethoxy>phenyl>methanone hydrochloride

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