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

Chemical Properties

CLEAR COLORLESS TO SLIGHTLY YELLOW LIQUID

Uses

Dimethyl (2-Oxoheptyl)phosphonate is a useful synthetic intermediate, and is used as a reagent to synthesize Caffeic acid (C080000) derivatives, which function as 5-lipoxygenase, 12-lipoxygenase, and prostaglandin synthase inhibitors.

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

Upstream product

• 142-61-0 Hexanoyl chloride 
• 756-79-6 dimethyl methane phosphonate 
• 106-70-7 methyl hexanoate 
• 142-62-1 hexanoic acid 
• 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 
• 138474-95-0 3-(3-methoxy-2-nitrophenyl)-1-pentylpropen-1-one 
• 138475-01-1 Toluene-4-sulfonic acid 2-methoxy-6-((E)-3-oxo-oct-1-enyl)-phenyl ester 
• 138474-91-6 3-(2-benzenesulfonyloxy-3-methoxy-6-nitrophenyl)-1-pentylpropen-1-one 
• 67838-10-2 1-Heptyl-1-(3-oxo-1-octenyl)-cyclohexan 
• 67838-12-4 (E)-1-{1-[6-(Tetrahydro-pyran-2-yloxy)-hexyl]-cyclohexyl}-oct-1-en-3-one 
• 89923-28-4 4β,5α-4-<(E)-3-Oxo-1-octenyl>-5-(phenylmethoxy)-3,3aβ,5,6-tetrahydro-4H-cyclopentisoxazole 
• 82511-83-9 (1E)-1-<2-(p-tolylsulfonyl)-2-azabicyclo<2.2.1>hept-5-en-3-yl>-1-octen-3-one 
• 82002-70-8 (E)-<1-(7-benzoyloxyheptyl)-2-(3-oxo-2-octenyl)-5-oxo>pyrrolidine 
• 81424-27-3 (+/-)-11α-phenyl-15-dehydro-11-deoxy-PGE₁ ethyl ester 
• 78647-21-9 methyl (1R*,2S*,4R*,6S*)-(Z)-2-acetylthio-4-hydroxy-6-<(E)-3-oxo-1-octenyl>cyclohexanehept-5-enoate 
• 88365-21-3 9,11-Dibenzyl-2-decarboxy-15-dehydro-6-hydroxy-2,3,4,5-tetranor-12-epi-PGF_1β 
• 88365-31-5 (1S,6R,7R,9R)-7,9-Bis(benzyloxy)-2-(2-oxoheptyl)-3-oxabicyclo<4.3.0>nonan 
• 79493-16-6 1-C-<3'-O-acetyl-2'-desoxy-2'-C-bis(phenylthio)methyl-α-L-threofuranosyl>-3-oxo-oct-1-ene, trans 

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.