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

Base Information

• Chemical Name: 4-[2-(1-Pyrrolidinyl)ethoxy]benzoyl chloride
• CAS No.: 63675-91-2
• Molecular Formula: C13H16ClNO2
• Molecular Weight: 253.729
• DSSTox Substance ID: DTXSID101255710

Synonyms:4-[2-(1-pyrrolidinyl)ethoxy]benzoyl chloride;63675-91-2;SCHEMBL5685572;LCXBPIUOOOZYAX-UHFFFAOYSA-N;DTXSID101255710;FT-0714088

Chemical Property of 4-[2-(1-Pyrrolidinyl)ethoxy]benzoyl chloride

Chemical Property:

• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 253.0869564
• Heavy Atom Count: 17
• Complexity: 246

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-[2-(1-Pyrrolidinyl)ethoxy]benzoyl chloride

There total 2 articles about 4-[2-(1-Pyrrolidinyl)ethoxy]benzoyl chloride 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:

4-[2-(1-pyrrolidinyl)ethoxy]benzoic acid hydrochloride (63675-90-1) → 4-[2-(1-pyrrolidinyl)ethoxy]benzoyl chloride (63675-91-2)

Guidance literature:

With thionyl chloride; N,N-dimethyl-formamide; In 1,2-dichloro-ethane; for 2h; Heating;

DOI:10.1021/jm00374a021

Reference yield:

4-(2-pyrrolidin-1-yl-ethoxy)-benzoic acid (69731-93-7) → 4-[2-(1-pyrrolidinyl)ethoxy]benzoyl chloride (63675-91-2)

Guidance literature:

With thionyl chloride; N,N-dimethyl-formamide; In 1,2-dichloro-ethane; for 2h; Heating;

DOI:10.1021/jm9903388

Reference yield: 92.0%

4-[2-(1-pyrrolidinyl)ethoxy]benzoyl chloride (63675-91-2) + 6-<(methylsulfonyl)oxy>-2-<4-<(methylsulfonyl)oxy>phenyl>benzothiophene (84449-65-0) → 6-methanesulfonyloxy-2-(4-methanesulfonyloxyphenyl)-3-[4-(2-pyrrolidinoethoxy)benzoyl]benzo[b]thiophene, hydrochloride (84449-70-7)

Guidance literature:

With aluminium trichloride; In 1,2-dichloro-ethane; for 16h;

DOI:10.1021/jm00374a021

upstream raw materials:

4-[2-(1-pyrrolidinyl)ethoxy]benzoic acid hydrochloride

4-(2-pyrrolidin-1-yl-ethoxy)-benzoic acid

Downstream raw materials:

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

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

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

2-[4-(2-pyrrolidinoethoxy)phenyl]-3-[4-(2-pyrrolidinoethoxy)benzoyl]-benzo[b]thiophene

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