40624-07-5

Basic information

• Product Name: 1,7-Dichloroheptan-4-one
• Synonyms: 1,7-DICHLORO-4-OXO-HEPTANE;1,7-DICHLORO-HEPTAN-4-ONE;1,7-DICHLOROHEPTANE-4-ONE;1,7-Dichloro-4-Heptanone;1,7-DICHLORO-4-OXO-HEPTANE, 98+%;1,7-Dichloro-4-ketoheptane;1,7-dichloro-4-heptane
• CAS NO: 40624-07-5
• Molecular Formula: C₇H₁₂Cl₂O
• Molecular Weight: 183.08
• Product Categories: Carbonyl Compounds;Halides
• Mol File: 40624-07-5.mol
• Article Data: 7

Chemical Properties

• Boiling Point: 264.8 °C at 760 mmHg
• Flash Point: 109.5 °C
• Appearance: /
• Density: 1.116 g/cm³
• Vapor Pressure: 0.00953mmHg at 25°C
• Refractive Index: 1.451
• Storage Temp.: Refrigerator, Under inert atmosphere
• Solubility: Chloroform (Slightly), Methanol (Slightly)
• CAS DataBase Reference: 1,7-Dichloroheptan-4-one(CAS DataBase Reference)
• NIST Chemistry Reference: 1,7-Dichloroheptan-4-one(40624-07-5)
• EPA Substance Registry System: 1,7-Dichloroheptan-4-one(40624-07-5)

Safety Data

• Hazardous Substances Data: 40624-07-5(Hazardous Substances Data)

Usage

Uses

1,7-Dichloroheptan-4-one is a useful research chemical.

Synthesis Reference(s)

Journal of the American Chemical Society, 78, p. 112, 1956 DOI: 10.1021/ja01582a034Organic Syntheses, Coll. Vol. 4, p. 278, 1963

InChI:InChI=1/C7H12Cl2O/c8-5-1-3-7(10)4-2-6-9/h1-6H2

Upstream product

• 1121-37-5 dicyclopropyl ketone 
• 7647-01-0 hydrogenchloride 
• 90953-88-1 α-(2-hydroxyethyl)-β-oxocyclopropanepropionic acid γ-lactone 
• 107825-25-2 (E)-4,4’,5,5’-tetrahydro-2’H,3H-[2,3’-bifuranylidene]-2’-one 
• 96-48-0 4-butanolide 
• 124-41-4 sodium methylate 
• 55164-40-4 α-(2-tetrahydrofuranylidene)-γ-butyrolactone 
• 35219-95-5 4,4'-oxy-bis-butyric acid diethyl ester 
• 76041-89-9 1,6-dioxa[4,4]spirononane 

Downstream Products

• 102080-75-1 1,7-bis-(4-chloro-phenylsulfanyl)-heptan-4-one 
• 78449-75-9 (1-azabicyclo<3.3.0>octan-5-yl)acetonitrile 
• 68295-48-7 7a-cyano-2,3,5,6,7,7a-hexahydro-1H-pyrrolizine 
• 95-48-7 ortho-cresol 
• 1080022-08-7 C₁₄H₂₀Cl₂O 
• 1080022-07-6 C₁₆H₂₄Cl₂O 
• 1080022-06-5 C₁₇H₂₆Cl₂O 
• 80843-04-5 5-(methylaminomethyl)-1-azabicyclo<3.3.0>octane 

Relevant articles and documents

N-[2-(1-azabicyclo[3.3.0]octan-5-YL)ethyl]-2-nitroaniline, a potent muscarinic agonist

The muscarine receptor agonist SK-946, an aniline derivative with a characteristic bicyclo amine, was found. We describe a new synthetic method for 1-azabicyclo[3.3.0]octane and describe the biological activity of SK- 946.

A double-ring propyl alkone improved process for synthesizing (by machine translation)

The invention discloses a double-ring improved process for synthesizing propyl alkone. First of all, the reaction is an inert organic solvent in the presence of and solid sodium alcoholate, γ? Butyrolactone dehydration condensation between the molecules occurs, produce intermediate; then to the adding concentrated hydrochloric acid in the reaction system, generating a decarboxylation reaction, 1,7? Dichloroborane? 4? Heptanone crude; finally, in action ShiShimonoseki ahead into a double-ring n-propyl ketone. The invention has the advantage of using an inert organic solvent and solid sodium alcoholate, does not need the recovery carries on mellowly is greatly improved controllability and reaction, reduction reaction by-product, the product yield is higher than the conventional technical 15-20%, the production cost is reduced, reducing the environmental pressure, product quality is improved. (by machine translation)

Synthesis and nicotinic receptor activity of chemical space analogues of N -(3 R)-1-azabicyclo[2.2.2]oct-3-yl-4-chlorobenzamide (PNU-282,987) and 1,4-diazabicyclo[3.2.2]nonane-4-carboxylic acid 4-bromophenyl ester (SSR180711)

The Chemical Universe Generated Databases up to 11 atoms of CNOF (GDB-11) and up to 13 atoms of CNOClS (GDB-13) were used to enumerate analogues of the diamine part of two known α7 nicotinic receptor agonists and construct libraries of virtual analogues of these drugs. The libraries were scored using structure-based (docking to the nicotine binding site of the acetylcholine binding protein 1uw6.pdb) or ligand-based (similarity to the parent drugs) methods, and the top-scoring virtual ligands were inspected for easily accessible synthetic targets. In total, 21 diamines were prepared and acylated with aromatic carboxylic or oxycarbonic acids to produce 85 analogues of the parent drugs. The compounds were profiled by electrophysiology in Xenopus oocytes expressing human nicotinic acetylcholine receptor (nAChR) subtypes α7, α3β2, α4β2, α3β4, or α4β4. Characterization of selected compounds revealed eight inhibitors of the α7 nicotinic receptor and three positive allosteric modulators of the α3β2 nAChR.