36969-89-8

Basic information

• Product Name: DIMETHYL (2-OXOHEPTYL)PHOSPHONATE
• Synonyms: DIMETHYL (2-OXOHEPTYL)PHOSPHONATE;(2-oxoheptyl)-phosphonicacidimethylester;DIMETHYL (2-OXOHEPTYL)PHOSPHONATE, TECH. , 85%;Phosphonic acid, (2-oxoheptyl)-, dimethyl ester;Dimethyl(2-oxoheptyl)phosphonate, 98 %;(2-Oxoheptyl)phosphonic acid dimethyl ester;2-Oxoheptylphosphonic acid dimethyl;Dimethyl (2-oxohept-1-yl)phosphonate 98%
• CAS NO: 36969-89-8
• Molecular Formula: C₉H₁₉O₄P
• Molecular Weight: 222.22
• EINECS: 253-293-4
• Product Categories: C-C Bond Formation;Horner-Wadsworth-Emmons Reagents;Olefination
• Mol File: 36969-89-8.mol
• Article Data: 9

Chemical Properties

• Boiling Point: 109 °C0.4 mm Hg(lit.)
• Flash Point: >230 °F
• Appearance: clear colorless to slightly yellow liquid
• Density: 1.07 g/mL at 25 °C(lit.)
• Vapor Pressure: 0.000423mmHg at 25°C
• Refractive Index: n20/D 1.444(lit.)
• Storage Temp.: Sealed in dry,Room Temperature
• BRN: 1946305
• CAS DataBase Reference: DIMETHYL (2-OXOHEPTYL)PHOSPHONATE(CAS DataBase Reference)
• NIST Chemistry Reference: DIMETHYL (2-OXOHEPTYL)PHOSPHONATE(36969-89-8)
• EPA Substance Registry System: DIMETHYL (2-OXOHEPTYL)PHOSPHONATE(36969-89-8)

Safety Data

• Statements: 36/37/38
• Safety Statements: 23-24/25
• WGK Germany: 3
• Hazardous Substances Data: 36969-89-8(Hazardous Substances Data)

Usage

Description

DIMETHYL (2-OXOHEPTYL)PHOSPHONATE is a clear, colorless to slightly yellow liquid that serves as a valuable synthetic intermediate in the chemical industry. Its unique chemical structure allows it to be utilized in the synthesis of various compounds, making it a versatile and essential component in the development of pharmaceuticals and other applications.

Uses

Used in Pharmaceutical Industry:
DIMETHYL (2-OXOHEPTYL)PHOSPHONATE is used as a synthetic intermediate for the production of Caffeic acid derivatives. These derivatives are known to function as inhibitors for 5-lipoxygenase, 12-lipoxygenase, and prostaglandin synthase, which are enzymes involved in various biological processes and inflammation. By inhibiting these enzymes, Caffeic acid derivatives can potentially be used in the treatment of conditions related to inflammation and other related disorders.
Used in Chemical Synthesis:
As a synthetic intermediate, DIMETHYL (2-OXOHEPTYL)PHOSPHONATE is also used in the chemical synthesis of various compounds for different industries. Its versatility in chemical reactions makes it a valuable asset in the development of new products and materials, contributing to the advancement of various fields, including pharmaceuticals, agrochemicals, and materials science.

InChI:InChI=1/C9H19O4P/c1-4-5-6-7-9(10)8-14(11,12-2)13-3/h4-8H2,1-3H3

Upstream product

• 106-70-7 methyl hexanoate 
• 756-79-6 dimethyl methane phosphonate 
• 142-62-1 hexanoic acid 
• 142-61-0 Hexanoyl chloride 
• 109-65-9 1-bromo-butane 
• 4202-14-6 dimethyl (2-oxopropyl)phosphonate 

Downstream Products

• 31753-00-1 [1,1'-bisphenyl]-4-carboxylic acid (3aR,4R,5R,6aS)-hexahydro-2-oxo-4-[(1E)-3-oxo-1-octen-1-yl]-2H-cyclopenta[b]furan-5-yl ester 
• 51014-26-7 (1S,5R,6R,7R)-6-[(E)-3(S)-hydroxy-1-octenyl]-7-(4-phenyl-benzoyloxy)-2-oxabicyclo[3.3.0]octane-3-one 
• 88365-28-0 (Z)-7-{(1R,2S,3R,5R)-3,5-Bis-benzyloxy-2-[(E)-(R)-3-(tetrahydro-pyran-2-yloxy)-oct-1-enyl]-cyclopentyl}-hept-5-enoic acid 
• 88365-27-9 (Z)-7-{(1R,2S,3R,5R)-3,5-Bis-benzyloxy-2-[(E)-(S)-3-(tetrahydro-pyran-2-yloxy)-oct-1-enyl]-cyclopentyl}-hept-5-enoic acid 
• 88424-55-9 9,11-Dibenzyl-2-decarboxy-15-dehydro-6-(p-phenylbenzoyloxy)-2,3,4,5-tetranor-12-epi-PGF_1β 
• 88391-24-6 9,11-Dibenzyl-2-decarboxy-6-(p-phenylbenzoyloxy)-2,3,4,5-tetranor-PGF_1β 
• 88391-25-7 9,11-Dibenzyl-2-decarboxy-6-(p-phenylbenzoyloxy)-2,3,4,5-tetranor-PGF1β 
• 88365-23-5 9,11-Dibenzyl-2-decarboxy-6-(p-phenylbenzoyloxy)-2,3,4,5-tetranor-12-epi-PGF_1β 
• 88391-23-5 Biphenyl-4-carboxylic acid 2-[(1R,2S,3R,5R)-3,5-bis-benzyloxy-2-((E)-(R)-3-hydroxy-oct-1-enyl)-cyclopentyl]-ethyl ester 
• 90664-39-4 (15S)-2-Decarboxy-6-hydroxy-15-methyl-9,11-bis(p-phenylbenzoyl)-2,3,4,5-tetranor-12-epi-PGF_1β 
• 90695-56-0 (15R)-2-Decarboxy-6-hydroxy-15-methyl-9,11-bis(p-phenylbenzoyl)-2,3,4,5-tetranor-12-epi-PGF_1β 
• 90664-40-7 (15S)-2-Decarboxy-15-methyl-6-oxo-9,11-bis(p-phenylbenzoyl)-2,3,4,5-tetranor-12-epi-PGF_1β 
• 90695-57-1 (15R)-2-Decarboxy-15-methyl-6-oxo-9,11-bis(p-phenylbenzoyl)-2,3,4,5-tetranor-12-epi-PGF_1β 
• 88365-29-1 (Z)-7-[(1R,2S,3R,5R)-3,5-Bis-benzyloxy-2-((E)-(S)-3-hydroxy-oct-1-enyl)-cyclopentyl]-hept-5-enoic acid 

Relevant articles and documents

Of the trometamol prostaglandin F2 α synthesis method (by machine translation)

The invention discloses a of the trometamol prostaglandin F2 α synthesis method, as the compound (-) - Corey lactone diol as raw materials, through the oxidation reaction to obtain lactone aldehyde, lactone aldehydechain after the weidiWeidi Greecehuo Naer reaction with - the lower side of the splicing an olefin, the olefin double-carbonyl after reduction to obtain the alcohol, with puncture ylide - wittich reaction the upper side of the obtained prostaglandin F2 α, then the prostaglandin F2 α of the trometamol after crystallization by dissolving of the trometamol prostaglandin F2 α. The synthesis method, without noble metal catalyst, there is little side reaction, high yield, low cost, less pollution, is suitable for industrial production. (by machine translation)

A facile route for synthesis of (±)-dinoprost, (±)-carboprost and its analogs

A general synthetic approach was developed for (±)-dinoprost (1), (±)-carboprost (2) and their analogs (3-5) through a key intermediate (6). Compound 6 can be converted into the target compounds in two or three steps. Diastereomeric separation was accomplished easily for obtaining (±) dinoprost. Separation of diastereomers was difficult for (±) carboprost and their analogs. Key intermediate 6 was obtained, in turn, from (±)-corey lactone.

Discovery of a novel EP2/EP4 dual agonist with high subtype-selectivity

A series of γ-lactam prostaglandin E1 analogs bearing a 16-phenyl moiety in the ω-chain and aryl moiety in the α-chain were synthesized and biologically evaluated. Among the tested compounds, γ-lactam PGE analog 3 designed as a structural hybrid of 1 and 2 was discovered as the most optimized EP2/EP4 dual agonist with excellent subtype-selectivity (Ki values: mEP2 = 9.3 nM, mEP4 = 0.41 nM). A structure-activity relationship study is presented.