amalik01
commented
3 years ago All of the above entries have now been annotated.
Closed K-r-ll closed 3 years ago
amalik01
commented
3 years ago All of the above entries have now been annotated.
Please annotate to the ChEBI standard the following furan derivatives.
(Could be nice to have the uniform orientation of the structural formulae, e.g. oxygen atom on the top, furan numbering clockwise as in
long alkyl substituents more or less horizontally to the right)
2-Methylfuran (CHEBI:88912) https://webbook.nist.gov/cgi/cbook.cgi?ID=534-22-5 https://chem.nlm.nih.gov/chemidplus/rn/534-22-5 //
2,4-Dimethylfuran (CHEBI:89526) https://webbook.nist.gov/cgi/cbook.cgi?ID=3710-43-8 https://chem.nlm.nih.gov/chemidplus/rn/3710-43-8 //
2,5-Dimethylfuran (CHEBI:89052) https://webbook.nist.gov/cgi/cbook.cgi?ID=625-86-5 https://chem.nlm.nih.gov/chemidplus/rn/625-86-5 //
2-Ethyl-5-methylfuran (CHEBI:88617) https://webbook.nist.gov/cgi/cbook.cgi?ID=1703-52-2 https://chem.nlm.nih.gov/chemidplus/rn/1703-52-2 //
2-Butylfuran (CHEBI:89750) Synonym: 2-n-butylfuran https://webbook.nist.gov/cgi/cbook.cgi?ID=4466-24-4 https://chem.nlm.nih.gov/chemidplus/rn/4466-24-4 //
2-Pentylfuran (CHEBI:89197) Synonym: 2-n-pentylfuran https://webbook.nist.gov/cgi/cbook.cgi?ID=3777-69-3 https://chem.nlm.nih.gov/chemidplus/rn/3777-69-3 //
2-Hexylfuran (CHEBI:171966) Synonym: 2-n-hexylfuran https://webbook.nist.gov/cgi/cbook.cgi?ID=3777-70-6 //
2-Heptylfuran (CHEBI:167091) Synonym: 2-n-heptylfuran https://webbook.nist.gov/cgi/cbook.cgi?ID=3777-71-7 //
2-Decylfuran (CHEBI:168892) Synonym: 2-n-decylfuran https://webbook.nist.gov/cgi/cbook.cgi?ID=83469-85-6 //
2-Methyl-5-(methylthio)furan (CHEBI:89286) https://webbook.nist.gov/cgi/cbook.cgi?ID=13678-59-6 https://chem.nlm.nih.gov/chemidplus/rn/13678-59-6 //
2-[(Ethylthio)methyl]furan (CHEBI:168930) Note: "IUPAC name" is wrong! Should be: 2-[(ethylsulfanyl)methyl]furan Synonym: (furfurylthio)ethane https://webbook.nist.gov/cgi/cbook.cgi?ID=2024-70-6 //
2-methyl-5-propionylfuran (CHEBI:167764) Note: "IUPAC name" is wrong! Should be: 1-(5-methylfuran-2-yl)propan-1-one Synonyms (from NIST Webbook): 5-methyl-2-propionylfuran 1-(5-methyl-2-furyl)propan-1-one 1-(5-methyl-2-furyl)-1-propanone 1-(5-methyl-2-furanyl)-1-propanone https://webbook.nist.gov/cgi/cbook.cgi?ID=10599-69-6 //
3-Acetyl-2,5-dimethylfuran (CHEBI:167367) Note: "IUPAC name" is wrong! Should be: 1-(2,5-dimethylfuran-3-yl)ethanone Synonyms (from NIST Webbook): 1-(2,5-dimethyl-3-furyl)ethanone 1-(2,5-dimethyl-3-furyl)ethan-1-one https://webbook.nist.gov/cgi/cbook.cgi?ID=10599-70-9 //
5-Methyl-2-furaldehyde (CHEBI:2091) By some reason, the formula C6H6O2 is repeated twice https://webbook.nist.gov/cgi/cbook.cgi?ID=620-02-0 https://chem.nlm.nih.gov/chemidplus/rn/620-02-0 //
5-Methylfuran-2-carboxylic acid (CHEBI:89918) Synonym: 5-Methylpyromucic acid (ChemIDplus) https://chem.nlm.nih.gov/chemidplus/rn/1917-15-3 https://www.ebi.ac.uk/pdbe-srv/pdbechem/chemicalCompound/show/2K1 //
3,3'-Dithiobis[2-methylfuran] (CHEBI:172109) Note: "IUPAC name" is wrong! Should be: 2-methyl-3-[(2-methylfuran-3-yl)disulfanyl]furan {simple substitutive nomenclature} or, better, 3,3'-disulfanediylbis(2-methylfuran) {multiplicative} https://webbook.nist.gov/cgi/cbook.cgi?ID=28588-75-2 //
3,3'-Dithiobis[4,5-dihydro-2-methylfuran] (CHEBI:172469) Note: "IUPAC name" is wrong! Should be: 5-methyl-4-[(5-methyl-2,3-dihydrofuran-4-yl)disulfanyl]-2,3-dihydrofuran {simple substitutive nomenclature} or, better, 4,4'-disulfanediylbis(5-methyl-2,3-dihydrofuran) {multiplicative} //