2-(4,5-Dihydro-2-oxazolyl)quinoline

• CAS: 202191-12-6
• Catalog Number: ACM202191126-1
• Category: Other Products
• Molecular Weight: 198.22
• Molecular Formula: C12H10N2O
• Synonyms: 2-(Quinolin-2-yl)-4,5-dihydrooxazole
• IUPAC Name: 2-quinolin-2-yl-4,5-dihydro-1,3-oxazole
• Canonical SMILES: C1COC(=N1)C2=NC3=CC=CC=C3C=C2
• InChI: USDSJWOYSHFPND-UHFFFAOYSA-N
• InChI Key: InChI=1S/C12H10N2O/c1-2-4-10-9(3-1)5-6-11(14-10)12-13-7-8-15-12/h1-6H,7-8H2
• Boiling Point: 380.2±15.0 °C(Predicted)
• Melting Point: 109-110 °C
• Complexity: 264
• Covalently-Bonded Unit Count: 1
• Exact Mass: 198.079312947
• H-Bond Acceptor: 3
• H-Bond Donor: 0
• Heavy Atom Count: 15
• Hydrogen Bond Acceptor Count: 3
• Hydrogen Bond Donor Count: 0
• Monoisotopic Mass: 198.079312947
• Rotatable Bond Count: 1
• Topological Polar Surface Area: 34.5 Ų

Custom Q&A

What is the CAS number for 2-(4,5-Dihydro-2-oxazolyl)quinoline?

The CAS number is 202191-12-6.

What is the molecular weight of 2-(4,5-Dihydro-2-oxazolyl)quinoline?

The molecular weight is 198.22.

What is the product name of 2-(4,5-Dihydro-2-oxazolyl)quinoline 97%?

The product name is 2-(4,5-Dihydro-2-oxazolyl)quinoline 97%.

What are some synonyms for 2-(4,5-Dihydro-2-oxazolyl)quinoline?

Some synonyms are 2-(quinolin-2-yl)-4,5-dihydrooxazole and 2-(quinolin-2-yl)-4,5-dihydro-1,3-oxazole.

What is the melting point of 2-(4,5-Dihydro-2-oxazolyl)quinoline?

The melting point is 109-110 °C.

What is the density of 2-(4,5-Dihydro-2-oxazolyl)quinoline?

The predicted density is 1.26±0.1 g/cm3.

What is the predicted pka of 2-(4,5-Dihydro-2-oxazolyl)quinoline?

The predicted pka is 3.27±0.61.

What is the predicted boiling point of 2-(4,5-Dihydro-2-oxazolyl)quinoline?

The predicted boiling point is 380.2±15.0 °C.

How should 2-(4,5-Dihydro-2-oxazolyl)quinoline be stored?

It should be stored under inert gas (nitrogen or Argon) at 2-8°C.

What hazard codes, safety statements, and risk statements are associated with 2-(4,5-Dihydro-2-oxazolyl)quinoline?

The hazard code is Xi, safety statement is 26, and risk statements are 36/38.

Synthetic Use

Upstream Synthesis Route 1

• 100142-77-6

• 202191-12-6

Reference: [1]Michel, Brian W.; Camelio, Andrew M.; Cornell, Candace N.; Sigman, Matthew S.
[Journal of the American Chemical Society, 2009, vol. 131, p. 6076 - 6077]
[2]Current Patent Assignee: UNIVERSITY OF UTAH - US2011/54176, 2011, A1
Location in patent: Page/Page column 7-8
[3]Steib, Philip; Breit, Bernhard
[Chemistry - A European Journal, 2019, vol. 25, # 14, p. 3532 - 3535]

Upstream Synthesis Route 2

• 202191-13-7

• 202191-12-6

Reference: [1]Michel, Brian W.; McCombs, Jessica R.; Winkler, Andrea; Sigman, Matthew S.
[Angewandte Chemie - International Edition, 2010, vol. 49, # 40, p. 7312 - 7315]
[2]Guo, Jun; Liu, Heng; Bi, Jifu; Zhang, Chunyu; Zhang, Hexin; Bai, Chenxi; Hu, Yanming; Zhang, Xuequan
[Inorganica Chimica Acta, 2015, vol. 435, p. 305 - 312]

Upstream Synthesis Route 3

• 93-10-7

• 202191-12-6

Reference: [1]Current Patent Assignee: UNIVERSITY OF UTAH - US2011/54176, 2011, A1
[2]Guo, Jun; Liu, Heng; Bi, Jifu; Zhang, Chunyu; Zhang, Hexin; Bai, Chenxi; Hu, Yanming; Zhang, Xuequan
[Inorganica Chimica Acta, 2015, vol. 435, p. 305 - 312]