2-Furoyl chloride

Base Information

• Chemical Name: 2-Furoyl chloride
• CAS No.: 527-69-5
• Molecular Formula: C5H3ClO2
• Molecular Weight: 130.531
• Hs Code.: 29321900
• European Community (EC) Number: 208-422-9,215-082-5
• UNII: 2US0DXI75S
• DSSTox Substance ID: DTXSID7060176
• Nikkaji Number: J95.459D
• Wikipedia: 2-Furoyl_chloride
• Wikidata: Q15634091
• Mol file: 527-69-5.mol

Synonyms:2-furoyl chloride

Chemical Property of 2-Furoyl chloride

Chemical Property:

• Appearance/Colour: colorless or light yellow liquid
• Vapor Pressure: 1.44mmHg at 25°C
• Melting Point: -2 °C
• Refractive Index: n20/D 1.531(lit.)
• Boiling Point: 170.9 at 760 mmHg
• Flash Point: 57.1 °C
• PSA: 30.21000
• Density: 1.323 g/cm³
• LogP: 1.65860
• Storage Temp.: Store below +30°C.
• Sensitive.: Moisture Sensitive
• Solubility.: soluble in Ether,Acetone
• Water Solubility.: DECOMPOSES
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 129.9821570
• Heavy Atom Count: 8
• Complexity: 103

Purity/Quality:

99.0%min ^*data from raw suppliers

FuroylChloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 34
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=COC(=C1)C(=O)Cl
• Uses: 2-Furoyl chloride is used in the preparation of novel dibenzothiepins that show antibiofilm activity. 2-Furoyl chloride is used in the chararcterisation of mixtures of polyethoxylated alcohols and their sulphates. It was also used in the preparation of S-2-furoyl-O-alkyldithiocarbonic anhydrides.

Technology Process of 2-Furoyl chloride

There total 11 articles about 2-Furoyl chloride 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: 81.0%

2-amino-4,6-difluoro-benzothiazole (119256-40-5) → 2-furancarbonyl chloride (527-69-5) + furan-2-carboxylic acid (4,6-difluoro-benzothiazol-2-yl)-amide

Guidance literature:

Reference yield: 76.0%

N,N-dimethyl-2-furfurylcarboxamide (13156-75-7) → 2-furancarbonyl chloride (527-69-5)

Guidance literature:

With iodine; N,N-dimethyl-formamide; phosphorus trichloride; In 1,2-dichloro-ethane; at 100 ℃; for 12h; Schlenk technique; Sealed tube;

DOI:10.1002/ejoc.202100630

Reference yield: 65.0%

1-(2-furyl)-1-ethanone (1192-62-7,80145-44-4) → 2-furancarbonyl chloride (527-69-5)

Guidance literature:

1-(2-furyl)-1-ethanone; With pyridine; disulfur dichloride; In chlorobenzene; at 20 ℃; for 2h;

With sulfuryl dichloride; In chlorobenzene; at 20 - 132 ℃; for 15.5h;

upstream raw materials:

2-furanoic acid

2-amino-4,6-difluoro-benzothiazole

N-cyclohexyl-cyclohexanamine

potassium furan-2-carboxylate

Downstream raw materials:

2-chloroacetylfuran

1-(2-furyl)-2-bromoethanone

(furan-2-yl)(thiophen-2-yl)methanone

furan-2-carboxylic acid-[3-(2-methyl-piperidino)-propylester]; hydrochloride

Refernces

A calorimetric study of N,N-diethyl-N′-furoylthiourea and N,N-diisobutyl-N′-furoylthiourea

10.1006/jcht.2001.0853

The research focuses on the thermochemical properties of two compounds, N,N-diethyl-N′-furoylthiourea (HFET) and N,N-diisobutyl-N′-furoylthiourea (HFIB), in both crystalline and gaseous phases. The experiments involved measuring the standard molar enthalpies of combustion and sublimation for these compounds at 298.15 K using rotative bomb calorimetry and high-temperature Calvet microcalorimetry, respectively. The reactants used in the synthesis of these compounds included potassium thiocianate, 2-furoyl chloride, and dialkylamines (diethylamine for HFET and diisobutylamine for HFIB). The synthesized compounds were then subjected to combustion and sublimation analyses to derive their standard molar enthalpies of formation. The calorimetric measurements were calibrated using standard substances like benzoic acid pellets and naphthalene, and corrections were made for factors such as nitric acid formation and energy equivalent of the calorimeter. The results provided insights into the energetic properties of these acylchalcogenoureas, which are important due to their applications as chelating ligands in analytical chemistry and metal separation techniques.