7-Diethylamino-4-(trifluoromethyl)coumarin

• CAS: 41934-47-8
• Catalog Number: ACM41934478-2
• Category: Other Products
• Molecular Weight: 285.26
• Molecular Formula: C14H14F3NO2
• Synonyms: 7-DIETHYLAMINO-4-(TRIFLUOROMETHYL)COUMARIN;7-(diethylamino)-4-(trifluoromethyl)-2h-1-benzopyran-2-on;coumarin35;7-(diethylamino)-4-(trifluoromethyl)-2-benzopyrone;4-(Trifluoromethyl)-7-(diethylamino)-2H-1-benzopyran-2-one;7-(Diethylamino)-4-(trifluoromethyl)-2H-1-benzopyran-2-one;2H-1-Benzopyran-2-one,7-(diethylamino)-4-(trifluoromethyl)-;7-(Diethylamino)-4-(trifluoromethyl)-2H-chromen-2-one
• IUPAC Name: 7-(diethylamino)-4-(trifluoromethyl)chromen-2-one
• Canonical SMILES: CCN(CC)C1=CC2=C(C=C1)C(=CC(=O)O2)C(F)(F)F
• InChI: InChI=1S/C14H14F3NO2/c1-3-18(4-2)9-5-6-10-11(14(15,16)17)8-13(19)20-12(10)7-9/h5-8H,3-4H2,1-2H3
• InChI Key: UIMOXRDVWDLOHW-UHFFFAOYSA-N
• Boiling Point: 80 - 81 °C
• Melting Point: 352.7 ± 42.0 °C
• Density: 1.405 g/ml

Custom Q&A

What is the molecular formula of the compound with PubChem CID 94523?

The molecular formula is C14H14F3NO2.

What is the molecular weight of the compound?

The molecular weight is 285.26 g/mol.

What are some synonyms for the compound?

Some synonyms include coumarin 481, 7-Diethylamino-4-(trifluoromethyl)coumarin, and 2H-1-Benzopyran-2-one, among others.

When was the compound created and last modified in PubChem?

It was created on 2005-03-27 and last modified on 2023-12-30.

What role does Coumarin 481 have?

It has a role as a fluorochrome.

What is the IUPAC name of the compound?

The IUPAC name is 7-(diethylamino)-4-(trifluoromethyl)chromen-2-one.

What is the InChI of the compound?

The InChI is InChI=1S/C14H14F3NO2/c1-3-18(4-2)9-5-6-10-11(14(15,16)17)8-13(19)20-12(10)7-9/h5-8H,3-4H2,1-2H3.

What is the canonical SMILES of the compound?

The canonical SMILES is CCN(CC)C1=CC2=C(C=C1)C(=CC(=O)O2)C(F)(F)F.

What is the CAS number of the compound?

The CAS number is 41934-47-8.

What is the XLogP3 value of the compound?

The XLogP3 value is 3.6.

Synthetic Use

Downstream Synthesis Route 1

• 591-50-4
• 41934-47-8

• 131882-55-8

Reference: [1]Kirpichenok, M. A.; Mel'nikova, L. M.; Denisov, L. K.; Grandberg, I. I.
[Chemistry of Heterocyclic Compounds, 1990, vol. 26, # 8, p. 858 - 862][Khimiya Geterotsiklicheskikh Soedinenii, 1990, # 8, p. 1028 - 1032]
[2]Kirpichenok, M. A.; Mel'nikova, L. M.; Denisov, L. K.; Grandberg, I. I.
[Chemistry of Heterocyclic Compounds, 1990, vol. 26, # 8, p. 858 - 862][Khimiya Geterotsiklicheskikh Soedinenii, 1990, # 8, p. 1028 - 1032]

Downstream Synthesis Route 2

• 336-64-1
• 41934-47-8

• 133721-33-2

Reference: [1]Matsui, Masaki; Shibata, Katsuyoshi; Muramatsu, Hiroshige; Sawada, Hideo; Nakayama, Masaharu
[Chemische Berichte, 1992, vol. 125, # 2, p. 467 - 472]

Downstream Synthesis Route 3

• 538-81-8
• 41934-47-8

• 133388-56-4

Reference: [1]Kirpichenok, M. A.; Yufit, D. S.; Mel'nikova, L. M.; Grandberg, I. I.; Struchkov, Yu. T.; Denisov, L. K.
[Chemistry of Heterocyclic Compounds, 1990, vol. 26, # 10, p. 1096 - 1101][Khimiya Geterotsiklicheskikh Soedinenii, 1990, # 10, p. 1319 - 1325]
[2]Kirpichenok, M. A.; Yufit, D. S.; Mel'nikova, L. M.; Grandberg, I. I.; Struchkov, Yu. T.; Denisov, L. K.
[Chemistry of Heterocyclic Compounds, 1990, vol. 26, # 10, p. 1096 - 1101][Khimiya Geterotsiklicheskikh Soedinenii, 1990, # 10, p. 1319 - 1325]

* For details of the synthesis route, please refer to the original source to ensure accuracy.