3-(2-Furoylamino)propanoic acid

Base Information

• Chemical Name: 3-(2-Furoylamino)propanoic acid
• CAS No.: 5652-37-9
• Molecular Formula: C8H9NO4
• Molecular Weight: 183.16
• Hs Code.: 2932190090
• DSSTox Substance ID: DTXSID20354032
• Wikidata: Q82131954
• Mol file: 5652-37-9.mol

Synonyms:5652-37-9;3-(2-furoylamino)propanoic acid;3-(Furan-2-carboxamido)propanoic acid;N-(2-Furoyl)-beta-alanine;3-(furan-2-carbonylamino)propanoic acid;3-[(furan-2-yl)formamido]propanoic acid;3-(furan-2-ylformamido)propanoic acid;furoyl-beta-alanine;3-(Furan-2-carboxamido)propanoicacid;ChemDiv3_000339;Cambridge id 5106728;Oprea1_372136;Oprea1_419354;SCHEMBL8372267;DTXSID20354032;HMS1473P09;MFCD00466494;N-(furan-2-ylcarbonyl)-beta-alanine;STK386798;AKOS000116930;3-(2-FUROYLAMINO)PROPANOICACID;IDI1_019657;NCGC00175896-01;2-Pyrrolidinone,1-(chloroacetyl)-(9CI);3-(furan-2-ylcarbonylamino)propanoic acid;3-(2-furoylamino)propanoic acid, AldrichCPR;CS-0221123;EU-0000362;EN300-08407;3-[[2-furanyl(oxo)methyl]amino]propanoic acid;A822415;SR-01000390991;SR-01000390991-1;BRD-K63547183-001-01-6;Z56940975

Chemical Property of 3-(2-Furoylamino)propanoic acid

Chemical Property:

• Vapor Pressure: 1.8E-09mmHg at 25°C
• Refractive Index: 1.525
• Boiling Point: 465.7°Cat760mmHg
• Flash Point: 235.4°C
• PSA: 79.54000
• Density: 1.306g/cm³
• LogP: 0.87500
• Storage Temp.: 2-8°C
• XLogP3: -0.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 183.05315777
• Heavy Atom Count: 13
• Complexity: 204

Purity/Quality:

98%min ^*data from raw suppliers

3-(furan-2-ylformamido)propanoicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=COC(=C1)C(=O)NCCC(=O)O

Technology Process of 3-(2-Furoylamino)propanoic acid

There total 6 articles about 3-(2-Furoylamino)propanoic 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: 91.1%

methyl 3-(furan-2-carboxamido)propanoate (1240186-40-6) → 3-(furan-2-carboxamido)propanoic acid (5652-37-9)

Guidance literature:

methyl 3-(furan-2-carboxamido)propanoate; With water; sodium hydroxide; In ethanol; at 20 ℃; for 12h; pH=8;

With hydrogenchloride; In ethanol; water; pH=3 - 4;

DOI:10.3184/174751912X13528167435099

Reference yield: 38.0%

2-furancarbonyl chloride (527-69-5) + 3-amino propanoic acid (107-95-9) → 3-(furan-2-carboxamido)propanoic acid (5652-37-9)

Guidance literature:

With sodium hydrogencarbonate; In water; for 1h;

DOI:10.1002/adsc.201300221

Reference yield:

N-(2-furoyl)-β-alanine phthalimid-2-yl ester → 3-(furan-2-carboxamido)propanoic acid (5652-37-9)

Guidance literature:

With Ir(ppy)₂(4,4'-di-tert-butyl-2,2'-dipyridyl)PF₆*H₂O; water; In acetonitrile; at 20 ℃; for 24h; Irradiation;

DOI:10.1002/adsc.201300221

upstream raw materials:

2-furanoic acid

2-furancarbonyl chloride

methyl 3-(furan-2-carboxamido)propanoate

3-amino propanoic acid

Refernces

• 1、 Kachkovskyi, Georgiy,Faderl, Christian,Reiser, Oliver. "Visible light-mediated synthesis of (Spiro)anellated furans". supporting information. p. 2240 - 2248. Retrieved 2013/10/01.