20261-68-1

Basic information

• Product Name: 1-chlorohexan-2-one
• Synonyms: 1-chlorohexan-2-one;1-Chloro-2-hexanone
• CAS NO: 20261-68-1
• Molecular Formula: C₆H₁₁ClO
• Molecular Weight: 134.61
• Mol File: 20261-68-1.mol
• Article Data: 19

Chemical Properties

• Boiling Point: 173.2 °C at 760 mmHg
• Flash Point: 77 °C
• Appearance: /
• Density: 0.989 g/cm³
• Vapor Pressure: 1.28mmHg at 25°C
• Refractive Index: 1.424
• CAS DataBase Reference: 1-chlorohexan-2-one(CAS DataBase Reference)
• NIST Chemistry Reference: 1-chlorohexan-2-one(20261-68-1)
• EPA Substance Registry System: 1-chlorohexan-2-one(20261-68-1)

Safety Data

• Hazardous Substances Data: 20261-68-1(Hazardous Substances Data)

Usage

General Description

1-Chlorohexan-2-one, also known as chlorohexanone, is a chemical compound with the molecular formula C6H11ClO. It belongs to the class of organic compounds known as ketones, which are characterized by the presence of a carbonyl group (C=O) bonded to two carbon atoms. 1-Chlorohexan-2-one is a colorless liquid with a pungent odor, and it is commonly used as a solvent and intermediate in the production of various chemical compounds. It is also utilized in the synthesis of pharmaceuticals and as a reagent in organic chemistry reactions. The presence of the chlorine atom in its structure confers specific chemical properties to 1-chlorohexan-2-one, making it useful in a variety of applications. However, it is important to handle and use this compound with caution, as it is toxic and may cause irritation upon contact with the skin and eyes.

InChI:InChI=1/C6H11ClO/c1-2-3-4-6(8)5-7/h2-5H2,1H3

Upstream product

• 52802-07-0 1-chloro-hexan-2-ol 
• 693-03-8 n-butyl magnesium bromide 
• 541-88-8 Chloroacetic anhydride 
• 591-78-6 n-hexan-2-one 
• 141339-92-6 t-butyl 2-chloro-3-oxoheptanoate 
• 79-04-9 chloroacetyl chloride 
• 109-52-4 valeric acid 
• 7737-62-4 Ethyl 3-oxoheptanoate 
• 64661-42-3 ethyl 2-chloro-3-oxoheptanoate 
• 67442-07-3 2-chloro-N-methoxy-N-methylacetamide 
• 693-04-9 butyl magnesium bromide 
• 67-56-1 methanol 
• 104-15-4 toluene-4-sulfonic acid 
• 186581-53-3 diazomethane 

Downstream Products

• 92376-12-0 4-hydroxy-benzoic acid N'-(4,5,6,7-tetrahydro-benzothiazol-2-yl)-hydrazide 
• 78946-52-8 C₆H₁₀ClNO₂ 
• 75-66-1 2-methylpropan-2-thiol 
• 80387-18-4 2-oxohexyl benzoate 
• 73663-71-5 1-(4-Acetyl-1-naphthoxy)-hexanon-(2) 
• 497933-10-5 2-chloro-1-hydroxy-1-phenylheptan-3-one 
• 6920-22-5 Hexane-1,2-diol 

Relevant articles and documents

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SYNTHESIS OF 1-CHLORO-2-ALKANONES USING MELDRUM'S ACID

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Photoenzymatic Synthesis of α-Tertiary Amines by Engineered Flavin-Dependent "ene"-Reductases

α-Tertiary amines are a common motif in pharmaceutically important molecules but are challenging to prepare using asymmetric catalysis. Here, we demonstrate engineered flavin-dependent ‘ene'-reductases (EREDs) can catalyze radical additions into oximes to prepare this motif. Two different EREDs were evolved into competent catalysts for this transformation with high levels of stereoselectivity. Mechanistic studies indicate that the oxime contributes to the enzyme templated charge-transfer complex formed between the substrate and cofactor. These products can be further derivatized to prepare a variety of motifs, highlighting the versatility of ERED photoenzymatic catalysis for organic synthesis.

Empirical method for predicting enantioselectivity in catalytic reactions: demonstration with lipase and oxazaborolidine

We derived a novel equation capable of predicting the degree of enantioselectivity in a catalytic reaction without any knowledge of the reaction mechanism and/or the transition-state structure, and tested the validity of this equation by changing substrates systematically in the lipase or oxazaborolidine-catalyzed reactions. A good correlation was observed between the predicted and observed E values, and the stereochemistry of the products could be predicted correctly in most cases (28 out of 30).

Endothelin antagonists

A compound of the formula (I): or a pharmaceutically acceptable salt thereof is disclosed, as well as processes for and intermediates in the preparation thereof, and a method of antagonizing endothelin.