5-[(Dimethylamino)methyl]-2-furoic acid

Base Information

• Chemical Name: 5-[(Dimethylamino)methyl]-2-furoic acid
• CAS No.: 86649-59-4
• Molecular Formula: C₈H₁₁NO₃
• Molecular Weight: 169.18
• Hs Code.: 2932190090
• DSSTox Substance ID: DTXSID90355571
• Mol file: 86649-59-4.mol

Synonyms:86649-59-4;5-[(dimethylamino)methyl]-2-furoic acid;5-[(dimethylamino)methyl]furan-2-carboxylic acid;5-((Dimethylamino)methyl)furan-2-carboxylic acid;5-Dimethylaminomethyl-furan-2-carboxylic acid;Oprea1_261889;Oprea1_380819;SCHEMBL2218079;DTXSID90355571;LLPIDIFMBNAYOD-UHFFFAOYSA-N;HMS1685C05;STK500746;AKOS000300713;SB61664;5-[(dimethylamino)methyl]-2-furoicacid;BP-10787;BB 0220688;CS-0300305;EN300-149746;F11826;5-((Dimethylamino)methyl)furan-2-carboxylicacid

Chemical Property of 5-[(Dimethylamino)methyl]-2-furoic acid

Chemical Property:

• Vapor Pressure: 0.00474mmHg at 25°C
• Refractive Index: 1.526
• Boiling Point: 264.9 °C at 760 mmHg
• Flash Point: 114 °C
• PSA: 53.68000
• Density: 1.197 g/cm³
• LogP: 1.03940
• Storage Temp.: 2-8°C
• XLogP3: -1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 169.07389321
• Heavy Atom Count: 12
• Complexity: 170

Purity/Quality:

98%Min ^*data from raw suppliers

5-[(dimethylamino)methyl]-2-furoicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)CC1=CC=C(O1)C(=O)O

Technology Process of 5-[(Dimethylamino)methyl]-2-furoic acid

There total 1 articles about 5-[(Dimethylamino)methyl]-2-furoic 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:

5-Chloromethyl-furan-2-carboxylic acid ethyl ester (2528-00-9) → 5-dimethylaminomethyl-furan-2-carboxylic acid (86649-59-4)

Guidance literature:

dimethyl amine; With sodium hydride; In N,N-dimethyl-formamide; at 20 ℃; for 0.5h;

5-Chloromethyl-furan-2-carboxylic acid ethyl ester; In N,N-dimethyl-formamide; for 48h;

With sodium hydroxide; water; In ethanol; at 80 ℃; for 0.666667h;

Reference yield:

2-(4-amino-2-chlorophenyl)isoindoline-1,3-dione (19348-53-9) + 5-dimethylaminomethyl-furan-2-carboxylic acid (86649-59-4) → C22H18ClN3O4

Guidance literature:

5-dimethylaminomethyl-furan-2-carboxylic acid; With N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate; In dichloromethane; for 0.166667h; Inert atmosphere;

2-(4-amino-2-chlorophenyl)isoindoline-1,3-dione; In dichloromethane; N,N-dimethyl-formamide; at 20 ℃; for 24h; Inert atmosphere;

DOI:10.1021/acs.jmedchem.5b00727

upstream raw materials:

5-Chloromethyl-furan-2-carboxylic acid ethyl ester

Refernces