1194-18-9 | 1,3-Cycloheptanedione

Packsize	Purity	Availability	Price	Discounted Price
1g	97%	in stock	$26.00	$18.00
5g	97%	in stock	$87.00	$61.00

Description

• Catalog Number: AA24023
• Chemical Name: 1,3-Cycloheptanedione
• CAS Number: 1194-18-9
• Molecular Formula: C7H10O2
• Molecular Weight: 126.1531
• MDL Number: MFCD14584421
• SMILES: O=C1CCCCC(=O)C1

Computed Properties

• Complexity: 122
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 9
• Hydrogen Bond Acceptor Count: 2
• XLogP3: 0.3

Upstream Synthesis Route

Cycloheptane-1,3-dione is a versatile compound that finds wide application in chemical synthesis processes. As a cyclic diketone, it serves as a valuable building block in the preparation of various organic compounds. One of the key uses of Cycloheptane-1,3-dione is as a starting material for the synthesis of heterocyclic compounds and biologically active molecules. Its unique structural features make it a useful intermediate in the production of pharmaceuticals, agrochemicals, and fine chemicals. Additionally, Cycloheptane-1,3-dione can participate in a variety of organic reactions, including condensation, reduction, and functional group transformations, allowing for the efficient construction of complex molecular structures. Its incorporation into synthetic routes can enable chemists to access novel compounds with diverse properties and potential applications.

Literature

• Enantioselective intramolecular aldol reaction mediated by a combination of L-amino Acid and Brønsted Acid to construct a bicyclic enedione containing a 7-membered ring.

  Chemical & pharmaceutical bulletin 20071201

• Amino acid mediated intramolecular asymmetric aldol reaction to construct a new chiral bicyclic enedione containing a seven-membered ring: remarkable inversion of enantioselectivity compared to the six-membered ring example.

  The Journal of organic chemistry 20070105