7-Diethylamino-4-methylcoumarin

• CAS: 91-44-1
• Catalog Number: ACM91441
• Category: Main Products
• Molecular Weight: 231.3
• Molecular Formula: C14H17NO2
• Description: Alfa Chemistry offers high-purity 7-Diethylamino-4-methylcoumarin products for various research purposes. Please contact us by email if you do not find the specification you are looking for on this page.
• Synonyms: 7-diethylamino-4-methyl-coumari
• IUPAC Name: 7-(diethylamino)-4-methylchromen-2-one
• Canonical SMILES: CCN(CC)C1=CC2=C(C=C1)C(=CC(=O)O2)C
• InChI: InChI=1S/C14H17NO2/c1-4-15(5-2)11-6-7-12-10(3)8-14(16)17-13(12)9-11/h6-9H,4-5H2,1-3H3
• InChI Key: AFYCEAFSNDLKSX-UHFFFAOYSA-N
• Boiling Point: 243 °C/6.5 mmHg
• Melting Point: 70.0 to 74.0 °C
• Solubility: soluble in Acetone,Methanol,Alcohol,Ether; almost transparency in Methanol
• Appearance: White to Amber to Dark green powder to crystal Purity(GC)
• Application: Such coumarin dyes are useful for laser dyes emitting blue-green light.
• Absorption Wavelength: (max.) 375(EtOH) nm
• Color/Form: CRYSTALS FROM ALCOHOL & BENZENE-PETROLEUM ETHER;GRANULAR; LIGHT-TAN COLOR
• Complexity: 320
• Covalently-Bonded Unit Count: 1
• EC Number: 202-068-9;612-902-7
• Exact Mass: 231.125929g/mol
• Features And Benefits: Coumarins are aromatic lactone compounds, many of which are found in natural plants. Coumarin compounds having an electron donating group at the 7-position show strong light absorption and emission, whereas unsubstituted coumarin compounds hardly emit light. This is because intramolecular charge transfer occurs when both electron-donating and electron-withdrawing groups are present in the coumarin molecule. The introduction of groups at the 3- or 4-position largely controls the wavelength of light absorption and emission. Furthermore, the introduction of electron-withdrawing groups at these positions can enhance the luminescence intensity.
• Formal Charge: 0
• H-Bond Acceptor: 3
• H-Bond Donor: 0
• Heavy Atom Count: 17
• MDL Number: MFCD00006864
• Monoisotopic Mass: 231.125929g/mol
• NSC Number: 61830
• Physical State: (20 deg.C) Solid
• Rotatable Bond Count: 3
• Storage Conditions: Store at room temperature and dry
• UNII: 1SFJ7F6R2C
• XLogP3: 3.1

Custom Q&A

What is the molecular formula of 7-Diethylamino-4-methylcoumarin?

The molecular formula of 7-Diethylamino-4-methylcoumarin is C14H17NO2.

What is the molecular weight of 7-Diethylamino-4-methylcoumarin?

The molecular weight of 7-Diethylamino-4-methylcoumarin is 231.29 g/mol.

What is the IUPAC name of 7-Diethylamino-4-methylcoumarin?

The IUPAC name of 7-Diethylamino-4-methylcoumarin is 7-(diethylamino)-4-methylchromen-2-one.

What is the InChIKey of 7-Diethylamino-4-methylcoumarin?

The InChIKey of 7-Diethylamino-4-methylcoumarin is AFYCEAFSNDLKSX-UHFFFAOYSA-N.

What is the canonical SMILES of 7-Diethylamino-4-methylcoumarin?

The canonical SMILES of 7-Diethylamino-4-methylcoumarin is CCN(CC)C1=CC2=C(C=C1)C(=CC(=O)O2)C.

What is the CAS number of 7-Diethylamino-4-methylcoumarin?

The CAS number of 7-Diethylamino-4-methylcoumarin is 91-44-1.

What is the European Community (EC) number of 7-Diethylamino-4-methylcoumarin?

The European Community (EC) number of 7-Diethylamino-4-methylcoumarin is 202-068-9.

What is the CAMEO Chemicals identifier for 7-Diethylamino-4-methylcoumarin?

The CAMEO Chemicals identifier for 7-Diethylamino-4-methylcoumarin is Coumarin 460.

What is the XLogP3 value of 7-Diethylamino-4-methylcoumarin?

The XLogP3 value of 7-Diethylamino-4-methylcoumarin is 3.1.

What is the topological polar surface area of 7-Diethylamino-4-methylcoumarin?

The topological polar surface area of 7-Diethylamino-4-methylcoumarin is 29.5Ų.

Synthetic Use

Upstream Synthesis Route 1

• 141-97-9
• 91-68-9

• 91-44-1

Reference: [1]Journal of Chemical Research,2020,vol. 44,p. 9 - 13
[2]Journal of Chemical Research,2016,vol. 40,p. 604 - 606
[3]Journal of Chemical Research,2015,vol. 39,p. 213 - 215
[4]Journal of the American Chemical Society,1959,vol. 81,p. 1348,1349

Downstream Synthesis Route 1

• 872-85-5
• 91-44-1

• 136886-29-8

Reference: [1]Tkach, I. I.; Andronova, N. A.; Savvina, L. P.; Luk'yanets, E. A.
[Chemistry of Heterocyclic Compounds, 1991, vol. 27, # 3, p. 259 - 262][Khimiya Geterotsiklicheskikh Soedinenii, 1991, # 3, p. 319 - 322]

Downstream Synthesis Route 2

• 591-50-4
• 91-44-1

• 29197-96-4

Reference: [1]Kirpichenok, M. A.; Mel'nikova, L. M.; Denisov, L. K.; Grandberg, I. I.
[Chemistry of Heterocyclic Compounds, 1989, vol. 25, # 4, p. 380 - 388][Khimiya Geterotsiklicheskikh Soedinenii, 1989, # 4, p. 460 - 469]
[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]

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