4-[(Dimethylamino)methyl]benzoic acid

Base Information

• Chemical Name: 4-[(Dimethylamino)methyl]benzoic acid
• CAS No.: 18364-71-1
• Molecular Formula: C10H13 N O2
• Molecular Weight: 179.219
• Hs Code.: 2922499990
• European Community (EC) Number: 837-111-6
• DSSTox Substance ID: DTXSID40356573
• Mol file: 18364-71-1.mol

Synonyms:4-[(dimethylamino)methyl]benzoic acid;18364-71-1;4-((Dimethylamino)methyl)benzoic acid;4-Dimethylaminomethyl-benzoic acid;4-dimethylaminomethylbenzoic acid;4-[(DIMETHYLAMINO)METHYL]BENZOICACID;4-((Dimethylamino)methyl)benzoicacid;4-[(Dimethylamino)methyl]benzoic acid HCl;Benzoic acid, 4-[(dimethylamino)methyl]-;4-(dimethylaminomethyl)benzoic acid;SCHEMBL65825;p-dimethylaminomethylbenzoic acid;DTXSID40356573;4-dimethylaminomethyl benzoic acid;ABFSTRGQQNSRNH-UHFFFAOYSA-N;MFCD04107483;AKOS000100782;AM86708;4-(N,N-dimethylaminomethyl) benzoic acid;BS-13723;BB 0241844;CS-0199346;FT-0677706;EN300-14804;4-[(Dimethylamino)methyl]benzoic acid, AldrichCPR;AE-641/00191003

Chemical Property of 4-[(Dimethylamino)methyl]benzoic acid

Chemical Property:

• Vapor Pressure: 0.00146mmHg at 25°C
• Boiling Point: 283.8°Cat760mmHg
• Flash Point: 125.4°C
• PSA: 40.54000
• Density: 1.13g/cm³
• LogP: 1.44640
• Storage Temp.: 2-8°C
• XLogP3: -0.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 179.094628657
• Heavy Atom Count: 13
• Complexity: 172

Purity/Quality:

98%,99%, ^*data from raw suppliers

4-[(dimethylamino)methyl]benzoicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-[(Dimethylamino)methyl]benzoic acid

There total 9 articles about 4-[(Dimethylamino)methyl]benzoic acid 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: 100.0%

methyl 4-(N,N-dimethylaminomethyl)benzoate (18153-53-2) → 4-((dimethylamino)methyl)benzoic acid (18364-71-1)

Guidance literature:

Reference yield: 50.6%

tert-butyl 4-((dimethylamino)methyl)benzoate (1004759-91-4) → 4-((dimethylamino)methyl)benzoic acid (18364-71-1)

Guidance literature:

With hydrogenchloride; In 1,4-dioxane; for 16h; Reflux;

Reference yield: 45.0%

p-(chloromethyl)benzoic acid (1642-81-5) + dimethyl amine (124-40-3) → 4-((dimethylamino)methyl)benzoic acid (18364-71-1)

Guidance literature:

In tetrahydrofuran; at 20 ℃; Inert atmosphere;

DOI:10.1002/cmdc.201800282

upstream raw materials:

4-dimethylaminomethyl-benzoic acid amide

tert-butyl 4-(chloromethyl)benzamide

methyl 4-(N,N-dimethylaminomethyl)benzoate

p-(chloromethyl)benzoic acid

Downstream raw materials:

p-Toluic acid

dimethyl amine

N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-4-(dimethylaminomethyl)benzamide

methyl 4-(N,N-dimethylaminomethyl)benzoate