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2-Heptanone, 1-iodo-, also known as iodine heptanone, is a halogenated ketone with the chemical formula C7H13IO. It is a chemical compound that serves as an intermediate in organic synthesis, particularly in the preparation of pharmaceuticals and agrochemicals. Characterized by a strong, pungent odor, 2-Heptanone, 1-iodois considered a moderately hazardous chemical, necessitating careful handling and adherence to proper safety protocols.

66446-96-6

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66446-96-6 Usage

Uses

Used in Pharmaceutical Industry:
2-Heptanone, 1-iodois used as a synthetic intermediate for the production of various pharmaceuticals. Its unique chemical structure allows for the creation of complex organic molecules that can be utilized in the development of new drugs and medications.
Used in Agrochemical Industry:
In the agrochemical sector, 2-Heptanone, 1-iodois employed as a precursor in the synthesis of various agrochemicals. Its reactivity and functional groups make it a valuable component in the development of pesticides, herbicides, and other agricultural chemicals.
Used in Research and Development:
2-Heptanone, 1-iodois also utilized in research as a building block for the synthesis of more complex organic molecules. Its versatility and reactivity make it an essential tool for chemists and researchers working on the development of new compounds and materials.
It is crucial to handle 2-Heptanone, 1-iodowith care due to its moderately hazardous nature, ensuring that proper safety protocols are followed to minimize risks during its use in various applications.

Check Digit Verification of cas no

The CAS Registry Mumber 66446-96-6 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 6,6,4,4 and 6 respectively; the second part has 2 digits, 9 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 66446-96:
(7*6)+(6*6)+(5*4)+(4*4)+(3*6)+(2*9)+(1*6)=156
156 % 10 = 6
So 66446-96-6 is a valid CAS Registry Number.

66446-96-6SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name 1-iodoheptan-2-one

1.2 Other means of identification

Product number -
Other names 1-iodo-2-heptanone

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:66446-96-6 SDS

66446-96-6Relevant academic research and scientific papers

Visible-Light-Triggered Iodinations Facilitated by Weak Electrostatic Interaction of N-Heterocyclic Carbenes

Chen, Xiang-Yu,Liu, Qiang,Lu, Yu,Sheng, He,Su, Xiao-Di,Wang, Zhi-Xiang

supporting information, p. 7187 - 7192 (2020/10/02)

N-heterocyclic carbenes (NHCs) are well-known as ligands and organocatalysts, but there is no recognition for their catalytic role as a stabilizer through electrostatic interaction rather than electron donation. By utilizing the electrostatic interaction, we herein describe the success of a visible-light-triggered radical-radical cross-coupling of N-alkenoxypyridinium salts and NaI, giving a variety of α-iodo ketones. Computational studies characterize the stabilization role of NHCs.

One-pot metal-free syntheses of acetophenones from styrenes through aerobic photo-oxidation and deiodination with iodine

Nobuta, Tomoya,Hirashima, Shin-Ichi,Tada, Norihiro,Miura, Tsuyoshi,Itoh, Akichika

scheme or table, p. 2576 - 2579 (2011/06/25)

A one-pot synthetic protocol of acetophenones from styrenes with molecular oxygen, visible light, and molecular iodine is reported. This procedure involves aerobic photo-oxidation and deiodination in one pot and provides the first report of metal-free direct syntheses of acetophenones from styrenes.

A New α-Iodination of Ketones Using Iodine-Ammonium Cerium(IV) Nitrate in Alcohol or Acetic Acid

Horiuchi, C. Akira,Kiji, Shinji

, p. 421 - 426 (2007/10/03)

The direct α-iodination of various ketones using iodine-ammonium cerium(IV) nitrate in acetic acid or alcohol gave the corresponding α-iodo ketones in high yields. The effect of cerium salt on the iodination of ketones, and the iodination of 5α-cholestan-3-one using several methods are also discussed. In the reaction of 3,3,5-trimethylcyclohexanone and unsymmetrical ketones, such as 2-hexanone and 2-heptanone, using methanol, ethanol, 1-propanol, and 2-propanol, the regioselective iodination product was obtained. In the case of bromination, the reaction of ketones with bromine and ammonium cerium(IV) nitrate also yielded the corresponding α-bromo ketones.

A New α-Iodination of Ketones Using Iodine-Cerium(IV) Ammonium Nitrate

Horiuchi, C. Akira,Kiji, Shinji

, p. 31 - 34 (2007/10/02)

Direct α-iodination of some ketones using iodine-cerium(IV) ammonium nitrate in acetic acid or methanol, gave the corresponding α-iodoketone in high yield.In the case of 2-pentanone, 4-methyl-2-pentanone, 2-hexanone, and 2-heptanone in methanol, the regioselective products were obtained.

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