4-(2-Diethylaminoethoxy)benzoyl chloride hydrochloride

Base Information

• Chemical Name: 4-(2-Diethylaminoethoxy)benzoyl chloride hydrochloride
• CAS No.: 59931-29-2
• Molecular Formula: C13H18ClNO2.ClH
• Molecular Weight: 292.205
• DSSTox Substance ID: DTXSID60582998

Synonyms:59931-29-2;4-(2-diethylaminoethoxy)benzoyl chloride hydrochloride;SCHEMBL11673068;DTXSID60582998;UNPSTKNBFGFSEW-UHFFFAOYSA-N;4-[2-(Diethylamino)ethoxy]benzoyl chloride--hydrogen chloride (1/1)

Chemical Property of 4-(2-Diethylaminoethoxy)benzoyl chloride hydrochloride

Chemical Property:

• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 291.0792842
• Heavy Atom Count: 18
• Complexity: 224

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN(CC)CCOC1=CC=C(C=C1)C(=O)Cl.Cl

Technology Process of 4-(2-Diethylaminoethoxy)benzoyl chloride hydrochloride

There total 5 articles about 4-(2-Diethylaminoethoxy)benzoyl chloride 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:

4-(2-diethylaminoethoxy)benzoic acid hydrochloride (59931-28-1) → 4-(2-diethylamino-ethoxy)-benzoyl chloride ; hydrochloride (59931-29-2)

Guidance literature:

With thionyl chloride; In N,N-dimethyl-formamide; for 3h; Heating;

DOI:10.1016/j.ejmech.2006.08.002

Reference yield:

methyl 4-(2-(diethylamino)ethoxy)benzoate (3483-96-3) → 4-(2-diethylamino-ethoxy)-benzoyl chloride ; hydrochloride (59931-29-2)

Guidance literature:

Multi-step reaction with 2 steps

1: aq. sodium hydroxide; HCl / ethanol / 2 h / Heating

2: thionyl chloride / dimethylformamide / 3 h / Heating

With hydrogenchloride; sodium hydroxide; thionyl chloride; In ethanol; N,N-dimethyl-formamide;

DOI:10.1016/j.ejmech.2006.08.002

Reference yield:

2-chloro-N,N-diethylethylamine hydrochloride (869-24-9) → 4-(2-diethylamino-ethoxy)-benzoyl chloride ; hydrochloride (59931-29-2)

Guidance literature:

Multi-step reaction with 3 steps

1: potassium carbonate; potassium iodide / acetone / Heating

2: aq. sodium hydroxide; HCl / ethanol / 2 h / Heating

3: thionyl chloride / dimethylformamide / 3 h / Heating

With hydrogenchloride; sodium hydroxide; thionyl chloride; potassium carbonate; potassium iodide; In ethanol; N,N-dimethyl-formamide; acetone;

DOI:10.1016/j.ejmech.2006.08.002

upstream raw materials:

4-(2-diethylaminoethoxy)benzoic acid hydrochloride

methyl 4-(2-(diethylamino)ethoxy)benzoate

2-chloro-N,N-diethylethylamine hydrochloride

methyl 4-hydroxylbenzoate

Downstream raw materials:

C₃₂H₃₂N₄O₇

C₃₄H₃₈N₂O₃

C₃₂H₃₂Cl₂N₂O₃

1-[4-(2-diethylaminoethoxy)phenylcarbonyl]-3,5-bis(benzylidene)-4-piperidone

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