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157937

Sigma-Aldrich

Dimethyl 2-oxoheptylphosphonate

technical grade, 85%

Synonym(s):

(2-Oxoheptyl)phosphonic acid dimethyl ester, Dimethyl (hexanoylmethyl)phosphonate

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About This Item

Linear Formula:
CH3(CH2)4COCH2P(O)(OCH3)2
CAS Number:
36969-89-8
Molecular Weight:
222.22
Beilstein:
1946305
EC Number:
253-293-4
MDL number:
MFCD00009514
UNSPSC Code:
12352108
PubChem Substance ID:
24849710
NACRES:
NA.22

grade

technical grade

Assay

85%

reaction suitability

reaction type: C-C Bond Formation

refractive index

n20/D 1.444 (lit.)

bp

109 °C/0.4 mmHg (lit.)

density

1.07 g/mL at 25 °C (lit.)

SMILES string

CCCCCC(=O)CP(=O)(OC)OC

InChI

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

InChI key

LQZCYXCHWNQBKX-UHFFFAOYSA-N

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Application

Reactant for:
  • Beirut reaction for the preparation of phosphonylated quinoxaline dioxides
  • Preparation of pyrrolomorphinan derivatives as κ opioid agonists via cyclocondensation, Vilsmeier-Haack formylation, Horner-Wadsworth-Emmons reaction, and Kocienski-modified Julia olefination from naltrexone methyl ether
  • Synthesis of C-glycosides amphiphiles via solvent-free Horner-Wadsworth-Emmons reaction with unprotected sugars
  • Preparation of specific inhibitors of endocannabinoid biosynthesis
A key intermediate in prostaglandin synthesis.

Storage Class Code

10 - Combustible liquids

WGK

WGK 3

Flash Point(F)

230.0 °F - closed cup

Flash Point(C)

110 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

FSL

Group 4: Flammable liquids
Type 3 petroleums
Hazardous rank III
Water insoluble liquid

JAN Code

157937-BULK:
157937-10G:
157937-1G:
157937-VAR:

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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