4-(2-(Piperidin-1-yl)ethoxy)benzoyl chloride

Base Information

• Chemical Name: 4-(2-(Piperidin-1-yl)ethoxy)benzoyl chloride
• CAS No.: 166975-76-4
• Molecular Formula: C14H18 Cl N O2
• Molecular Weight: 267.755
• DSSTox Substance ID: DTXSID701261686
• Mol file: 166975-76-4.mol

Synonyms:4-(2-(piperidin-1-yl)ethoxy)benzoyl chloride;4-[2-(1-piperidinyl)ethoxy]benzoyl hydrochloride;4-[2-(1-Piperidinyl)ethoxy]benzoyl chloride;SCHEMBL1358544;QGKJLTUHTANSOU-UHFFFAOYSA-N;DTXSID701261686;4-(2-piperidin-1-yl-ethoxy)-benzoyl chloride;F17328

Chemical Property of 4-(2-(Piperidin-1-yl)ethoxy)benzoyl chloride

Chemical Property:

• Vapor Pressure: 1.44E-07mmHg at 25°C
• Boiling Point: 413.2°C at 760 mmHg
• PKA: 8.51±0.10(Predicted)
• Flash Point: 203.7°C
• PSA: 49.77000
• Density: 1.164±0.06 g/cm3(Predicted)
• LogP: 2.98940
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 267.1026065
• Heavy Atom Count: 18
• Complexity: 259

Purity/Quality:

97% ^*data from raw suppliers

4-(2-Piperidinoethoxy)benzoicacidhydrochloride 98 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCN(CC1)CCOC2=CC=C(C=C2)C(=O)Cl

Technology Process of 4-(2-(Piperidin-1-yl)ethoxy)benzoyl chloride

There total 8 articles about 4-(2-(Piperidin-1-yl)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-(piperidin-1-yl)-ethoxy)benzoic acid (89407-98-7) → 4-(2-(piperidin-1-yl)ethoxy)benzoyl chloride (166975-76-4)

Guidance literature:

With thionyl chloride; In tetrahydrofuran; at 20 - 50 ℃;

Reference yield:

4-(2-piperidin-1-ylethoxy)benzoic acid hydrochloride (84449-80-9) → 4-(2-(piperidin-1-yl)ethoxy)benzoyl chloride (166975-76-4)

Guidance literature:

With thionyl chloride; N,N-dimethyl-formamide; In toluene;

DOI:10.1021/jm00374a021

Reference yield:

Ethyl 4-hydroxybenzoate (120-47-8) → 4-(2-(piperidin-1-yl)ethoxy)benzoyl chloride (166975-76-4)

Guidance literature:

Multi-step reaction with 3 steps

1: potassium carbonate / N,N-dimethyl-formamide / 17 h / 100 °C

2: sodium hydroxide / methanol / 15 h / 20 °C

3: thionyl chloride / Reflux

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

DOI:10.1021/jm200370y

upstream raw materials:

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

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

Ethyl 4-hydroxybenzoate

ethyl 4-(2-Piperidinylethoxy)benzoate

Downstream raw materials:

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

[6-methoxy-2-(4-methoxy-phenyl)-3,4-dihydro-2H-quinolin-1-yl]-[4-(2-piperidin-1-yl-ethoxy)-phenyl]-methanone

(2-hydroxy-6-methoxy-naphthalen-1-yl)-[4-(2-piperidin-1-yl-ethoxy)-phenyl]-methanone

N-{2-(4-Hydroxy-phenyl)-3-[4-(2-piperidin-1-yl-ethoxy)-benzoyl]-benzo[b]thiophen-6-yl}-acetamide

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