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Dimethyl (3,3-difluoro-2-oxoheptyl)phosphonate, with the chemical formula C9H18F2O4P, is an organophosphonate compound that features a unique structure with a 3,3-difluoro-2-oxoheptyl group attached to a dimethylphosphonate moiety. Dimethyl (3,3-difluoro-2-oxoheptyl)phosphonate is known for its potential applications in various chemical processes and industries due to its distinct chemical properties.

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  • 50889-46-8 Structure
  • Basic information

    1. Product Name: Dimethyl (3,3-difluoro-2-oxoheptyl)phosphonate
    2. Synonyms: (3,3-Difluoro-2-oxoheptyl)phosphonic acid dimethyl ester;Dimethyl (2-oxo-3,3-difluoroheptyl)phosphonate;Dimethyl (3,3-difluoro-2-oxoheptyl)phosphonate;Dimethyl (3,3-difluoro-2-oxohept-1-yl)phosphonate;Phosphonic acid, P-(3,3-difluoro-2-oxoheptyl)-, dimethyl ester
    3. CAS NO:50889-46-8
    4. Molecular Formula: C9H17F2O4P
    5. Molecular Weight: 258.199
    6. EINECS: 1592732-453-0
    7. Product Categories: Miscellaneous Reagents
    8. Mol File: 50889-46-8.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 300.974 °C at 760 mmHg
    3. Flash Point: 135.825 °C
    4. Appearance: /
    5. Density: 1.162
    6. Vapor Pressure: 0.001mmHg at 25°C
    7. Refractive Index: 1.405
    8. Storage Temp.: Inert atmosphere,Room Temperature
    9. Solubility: Dichloromethane, Chloroform, Ethyl Acetate, Tetrahydrofuran
    10. CAS DataBase Reference: Dimethyl (3,3-difluoro-2-oxoheptyl)phosphonate(CAS DataBase Reference)
    11. NIST Chemistry Reference: Dimethyl (3,3-difluoro-2-oxoheptyl)phosphonate(50889-46-8)
    12. EPA Substance Registry System: Dimethyl (3,3-difluoro-2-oxoheptyl)phosphonate(50889-46-8)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 50889-46-8(Hazardous Substances Data)

50889-46-8 Usage

Uses

Used in Organic Synthesis:
Dimethyl (3,3-difluoro-2-oxoheptyl)phosphonate is used as a synthetic intermediate for the preparation of various organic compounds. Its unique structure allows it to be a versatile building block in the synthesis of pharmaceuticals, agrochemicals, and other specialty chemicals. The presence of the difluoro-2-oxoheptyl group and the phosphonate moiety makes it a valuable precursor for the development of new molecules with specific biological activities or improved properties.
Used in Pharmaceutical Industry:
In the pharmaceutical industry, Dimethyl (3,3-difluoro-2-oxoheptyl)phosphonate is used as a key intermediate in the synthesis of drug candidates. Its unique structural features can be exploited to design and develop novel therapeutic agents with improved pharmacokinetic and pharmacodynamic profiles. Dimethyl (3,3-difluoro-2-oxoheptyl)phosphonate's reactivity and functional group compatibility make it suitable for various synthetic routes and medicinal chemistry strategies.
Used in Agrochemical Industry:
Dimethyl (3,3-difluoro-2-oxoheptyl)phosphonate is also utilized in the agrochemical industry for the synthesis of new pesticides and crop protection agents. Its unique structure can be employed to create molecules with enhanced biological activity, selectivity, and reduced environmental impact. Dimethyl (3,3-difluoro-2-oxoheptyl)phosphonate's potential as a building block in agrochemical synthesis can lead to the development of innovative and effective products for agricultural applications.

Check Digit Verification of cas no

The CAS Registry Mumber 50889-46-8 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 5,0,8,8 and 9 respectively; the second part has 2 digits, 4 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 50889-46:
(7*5)+(6*0)+(5*8)+(4*8)+(3*9)+(2*4)+(1*6)=148
148 % 10 = 8
So 50889-46-8 is a valid CAS Registry Number.
InChI:InChI=1/C9H17F2O4P/c1-4-5-6-9(10,11)8(12)7-16(13,14-2)15-3/h4-7H2,1-3H3

50889-46-8SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 13, 2017

Revision Date: Aug 13, 2017

1.Identification

1.1 GHS Product identifier

Product name Dimethyl(3,3-difluoro-2-oxoheptyl)phosphonate

1.2 Other means of identification

Product number -
Other names 1-dimethoxyphosphoryl-3,3-difluoroheptan-2-one

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:50889-46-8 SDS

50889-46-8Relevant articles and documents

Process for Preparing Lubiprostone and Intermediate Therefor

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, (2017/05/12)

The present invention relates to a method for producing lubiprostone and an intermediate product used therefor. According to the present invention, the selective introduction of a protecting group onto corey lactone diol enables the production of lubiprostone in an efficient and economical way.

PROSTAGLANDIN SYNTHESIS AND INTERMEDIATES FOR USE THEREIN

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Page/Page column 6, (2010/04/23)

Fused cyclopentane—4-substituted 3,5-dioxalane lactone compounds useful as an intermediate in the synthesis of prostaglandin analogs are provided. The compounds have the formula A: wherein R represents an aryl group such as p-methoxyphenyl. This compound can be reacted with a lower alkyl aluminum compound to open the dioxalane ring and reduce the lactone to lactol, without over-reducing to diol. The resulting compound can be functionalized to insert chemical side groups of target prostaglandins, adding the required α-side chain and then the required ω-side chain sequentially and independently of each other. The compounds and process are particularly suitable for preparing lubiprostone.

16-Substituted prostaglandins

-

, (2008/06/13)

A process for producing optically active 16-substituted prostaglandins and new 16-substituted prostaglandins produced thereby which are useful as cardiovascular agents and as agents for inducing labor in pregnant females and for the termination of pregnancy.

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