2-Methylfuran-3-carbonyl chloride

Base Information

• Chemical Name: 2-Methylfuran-3-carbonyl chloride
• CAS No.: 5555-00-0
• Molecular Formula: C6H5ClO2
• Molecular Weight: 144.558
• Hs Code.: 2932190090
• European Community (EC) Number: 622-718-9
• DSSTox Substance ID: DTXSID70374942
• Wikidata: Q82163507
• Mol file: 5555-00-0.mol

Synonyms:2-Methylfuran-3-carbonyl chloride;5555-00-0;2-Methyl-3-furoyl chloride;2-Methyl-furan-3-carbonyl chloride;2-METHYLFURAN-3-CARBONYLCHLORIDE;2-methyl-3-furancarbonyl chloride;MFCD03421418;3-Furancarbonyl chloride, 2-methyl-;SCHEMBL1164338;DTXSID70374942;AFFZVBHMMXZNKE-UHFFFAOYSA-N;2-methyl-3-furanecarbonyl chloride;2-methyl-3-furancarboxylic chloride;2-methylfuran-3-carboxylic chloride;GEO-01835;2-methyl-3-furanylcarboxylic chloride;AKOS005257784;AS-6517;2-Methylfuran-3-carbonyl chloride, 97%;FT-0613044;A830699;W-200432

Chemical Property of 2-Methylfuran-3-carbonyl chloride

Chemical Property:

• Vapor Pressure: 1.35mmHg at 25°C
• Refractive Index: 1.496
• Boiling Point: 172.1°Cat760mmHg
• Flash Point: 57.9°C
• PSA: 30.21000
• Density: 1.258g/cm³
• LogP: 1.96700
• Storage Temp.: 2-8°C
• Sensitive.: Moisture Sensitive
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 143.9978071
• Heavy Atom Count: 9
• Complexity: 124

Purity/Quality:

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

2-Methylfuran-3-carbonyl chloride 95.0% ^*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: CC1=C(C=CO1)C(=O)Cl

Technology Process of 2-Methylfuran-3-carbonyl chloride

There total 6 articles about 2-Methylfuran-3-carbonyl 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: 92.0%

2-methyl-3-furancarboxylic acid (6947-94-0) → 2-methylfuran-3-carbonyl chloride (5555-00-0)

Guidance literature:

With pyridine; thionyl chloride; In diethyl ether; at 0 - 30 ℃; for 3h;

DOI:10.1002/hlca.19870700524

Reference yield:

methyl 2-methyl-3-furancarboxylate (6141-58-8) → 2-methylfuran-3-carbonyl chloride (5555-00-0)

Guidance literature:

With sodium hydroxide; thionyl chloride; In methanol; water; toluene;

Reference yield:

2-methyl-3-furancarboxylic acid (6947-94-0) + chloroacetaldehyde dimethyl acetal (97-97-2) + ethyl acetoacetate (141-97-9) → 2-methylfuran-3-carbonyl chloride (5555-00-0)

Guidance literature:

With pyridine; hydrogenchloride; sodium hydroxide; In thionyl chloride; ethanol; water;

upstream raw materials:

2-methyl-3-furancarboxylic acid

2-methyl-3-ethoxycarbonyl-furan

methyl 2-methyl-3-furancarboxylate

chloroacetaldehyde dimethyl acetal

Downstream raw materials:

fenfuram

2-methylfuran-3-carboxamide

(2-Methyl-3-furyl)(tert-butyl)methyl benzoate

N-(2-(4,5-dihydrooxazol-2-yl)phenyl)-2-methylfuran-3-carboxamide

Refernces

• 1、 Jacques, Sylvain A.,Kuhn, Isabelle,Koniev, Oleksandr,Schuber, Francis,Lund, Frances E.,Wagner, Alain,Muller-Steffner, Héleìne,Kellenberger, Esther. "Discovery of potent inhibitors of Schistosoma mansoni NAD+ catabolizing enzyme". . p. 3582 - 3592. Retrieved 2015/05/05.
• 2、 Presset, Marc,Oehlrich, Daniel,Rombouts, Frederik,Molander, Gary A.. "Complementary regioselectivity in Rh(III)-catalyzed insertions of potassium vinyltrifluoroborate via C-H activation: Preparation and use of 4-trifluoroboratotetrahydroisoquinolones". supporting information. p. 1528 - 1531. Retrieved 2013/06/27.