5-(Aminomethyl)furan-2-carboxylic acid

Base Information

• Chemical Name: 5-(Aminomethyl)furan-2-carboxylic acid
• CAS No.: 934-65-6
• Molecular Formula: C6H7 N O3
• Molecular Weight: 141.126
• Hs Code.: 2932190090
• DSSTox Substance ID: DTXSID50918464
• Nikkaji Number: J1.677.482K
• ChEMBL ID: CHEMBL2220117
• Mol file: 934-65-6.mol

Synonyms:5-(aminomethyl)-2-furancarboxylic acid

Chemical Property of 5-(Aminomethyl)furan-2-carboxylic acid

Chemical Property:

• Vapor Pressure: 0.000158mmHg at 25°C
• Refractive Index: 1.561
• Boiling Point: 317.7°Cat760mmHg
• Flash Point: 146°C
• PSA: 76.46000
• Density: 1.347g/cm³
• LogP: 1.13680
• XLogP3: -2.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 141.042593085
• Heavy Atom Count: 10
• Complexity: 137

Purity/Quality:

98%min ^*data from raw suppliers

5-(aminomethyl)-2-furoicacidhydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(OC(=C1)C(=O)O)CN

Technology Process of 5-(Aminomethyl)furan-2-carboxylic acid

There total 11 articles about 5-(Aminomethyl)furan-2-carboxylic 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-chloromethylfurfural (1623-88-7) → 5-(aminomethyl)furan-2-carboxylic acid (934-65-6)

Guidance literature:

5-chloromethylfurfural; With oxygen; gold; sodium hydroxide; In tetrahydrofuran; at 60 ℃; for 4h; under 2250.23 Torr;

With ammonia; at -56 ℃;

Reference yield:

C6H4ClO3(1-)*Na(1+) → 5-(aminomethyl)furan-2-carboxylic acid (934-65-6)

Guidance literature:

With ammonia; at -56 ℃;

Reference yield:

5-Formyl-2-furancarboxylic acid (13529-17-4) → 5-(aminomethyl)furan-2-carboxylic acid (934-65-6)

Guidance literature:

With isopropylamine; In aq. phosphate buffer; at 35 ℃; for 24h; pH=8; Reagent/catalyst; Enzymatic reaction;

DOI:10.1039/c6gc02241c

upstream raw materials:

5-[(chloroacetyl-amino)-methyl]-furan-2-carboxylic acid methyl ester

5-[(chloroacetyl-amino)-methyl]-furan-2-carboxylic acid ethyl ester

Ethyl 2-furoate

2-furoic acid methyl ester

Downstream raw materials:

5-aminomethyl-2-furancarboxylic acid hydrochloride salt

C₆H₁₁NO₃

6-aminohexanoic acid

caprolactam