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Merck
CN

02615

(Ethoxycarbonylmethyl)triphenylphosphonium chloride

technical, ≥90% (AT)

Synonym(s):

(2-Ethoxy-2-oxoethyl)triphenylphosphonium chloride

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About This Item

Linear Formula:
CH3CH2OCOCH2P(Cl)(C6H5)3
CAS Number:
Molecular Weight:
384.84
UNSPSC Code:
12352108
NACRES:
NA.22
PubChem Substance ID:
EC Number:
241-548-2
Beilstein/REAXYS Number:
3924139
MDL number:
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Product Name

(Ethoxycarbonylmethyl)triphenylphosphonium chloride, technical, ≥90% (AT)

InChI key

DJGHVEPNEJKZBF-UHFFFAOYSA-M

InChI

1S/C22H22O2P.ClH/c1-2-24-22(23)18-25(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21;/h3-17H,2,18H2,1H3;1H/q+1;/p-1

SMILES string

[Cl-].CCOC(=O)C[P+](c1ccccc1)(c2ccccc2)c3ccccc3

grade

technical

assay

≥90% (AT)

reaction suitability

reaction type: C-C Bond Formation

mp

120-123 °C (dec.)
120-123 °C (lit.)

functional group

ester
phosphine

storage temp.

2-8°C

Quality Level

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Application

Reactant for:
  • Preparation of disubstituted tetrahydrofurans as selective serotonin re-uptake inhibitors for the treatment of depression
  • Ring-opening reactions with Wittig reagents
  • Enantioselective total synthesis of the phytotoxic lactone herbarumin III via Keck′s asymmetric allylation and Sharpless epoxidation
  • Synthesis of fluorobenzofurans via microwave-assisted tandem intramolecular Wittig and Claisen rearrangement reactions
  • Preparation of phosphonium derivatives of coumarin

Other Notes

Starting material for preparing the Wittig-reagent

pictograms

Exclamation mark

signalword

Warning

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

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O. Sieber et al.
Helvetica Chimica Acta, 40, 1242-1242 (1957)
H.J. Bestmann et al.
Chemische Berichte, 96, 465-465 (1963)
H. Moison et al.
Tetrahedron, 43, 537-537 (1987)

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