4-((Dimethylamino)methyl)benzoic acid hydrochloride

Base Information

• Chemical Name: 4-((Dimethylamino)methyl)benzoic acid hydrochloride
• CAS No.: 17847-26-6
• Molecular Formula: C10H14ClNO2
• Molecular Weight: 215.67666
• Hs Code.: 2922498590
• European Community (EC) Number: 851-457-5
• Mol file: 17847-26-6.mol

Synonyms:17847-26-6;4-((Dimethylamino)methyl)benzoic acid hydrochloride;4-[(dimethylamino)methyl]benzoic acid hydrochloride;4-DIMETHYLAMINOMETHYL-BENZOIC ACID HYDROCHLORIDE;4-[(dimethylamino)methyl]benzoic acid;hydrochloride;Benzoic acid, 4-[(dimethylamino)methyl]-, hydrochloride (1:1);4-((DIMETHYLAMINO)METHYL)BENZOIC ACID HCL;SCHEMBL5065552;SNTRRUBDUJPTLH-UHFFFAOYSA-N;MFCD09997604;4-dimethylaminomethyl-benzoic acid HCl;AKOS004910784;DS-8390;SB79401;CS-0151295;EN300-64034;N10289;4-((Dimethylamino)methyl)benzoicacidhydrochloride;Z993967208

Chemical Property of 4-((Dimethylamino)methyl)benzoic acid hydrochloride

Chemical Property:

• PSA: 40.54000
• LogP: 2.24840
• Storage Temp.: Inert atmosphere,Room Temperature
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 215.0713064
• Heavy Atom Count: 14
• Complexity: 172

Purity/Quality:

97% ^*data from raw suppliers

4-((Dimethylamino)methyl)benzoicAcidHydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CN(C)CC1=CC=C(C=C1)C(=O)O.Cl

Technology Process of 4-((Dimethylamino)methyl)benzoic acid hydrochloride

There total 3 articles about 4-((Dimethylamino)methyl)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: 98.0%

methyl 4-(N,N-dimethylaminomethyl)benzoate (18153-53-2) → 4-[(dimethylamino)methyl]benzoic acid hydrochloride (17847-26-6)

Guidance literature:

With hydrogenchloride; In water; at 100 ℃;

DOI:10.1039/c9cc01939a

Reference yield:

Methyl 4-(bromomethyl)benzoate (2417-72-3) → 4-[(dimethylamino)methyl]benzoic acid hydrochloride (17847-26-6)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium carbonate; potassium iodide / ethanol / Inert atmosphere

2: hydrogenchloride; water

With hydrogenchloride; water; potassium carbonate; potassium iodide; In ethanol;

DOI:10.1016/j.bmc.2011.08.001

Reference yield:

4-methyl-benzoic acid methyl ester (99-75-2) → 4-[(dimethylamino)methyl]benzoic acid hydrochloride (17847-26-6)

Guidance literature:

Multi-step reaction with 3 steps

1: N-Bromosuccinimide; 2,2'-azobis(isobutyronitrile) / tetrachloromethane / 12 h / Reflux; Inert atmosphere

2: potassium carbonate; potassium iodide / ethanol / Inert atmosphere

3: hydrogenchloride; water

With hydrogenchloride; N-Bromosuccinimide; 2,2'-azobis(isobutyronitrile); water; potassium carbonate; potassium iodide; In tetrachloromethane; ethanol;

DOI:10.1016/j.bmc.2011.08.001

upstream raw materials:

4-methyl-benzoic acid methyl ester

Methyl 4-(bromomethyl)benzoate

methyl 4-(N,N-dimethylaminomethyl)benzoate

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