79522
tert-Butyl P,P-dimethylphosphonoacetate
≥97.0% (GC)
Synonym(s):
tert-Butyl ((oxo)dimethoxyphosphino)acetate, tert-Butyl (dimethoxyphosphinyl)acetate, Dimethyl (tert-butoxycarbonyl)methylphosphonate
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About This Item
Linear Formula:
(CH3O)2P(O)CH2COOC(CH3)3
CAS Number:
Molecular Weight:
224.19
UNSPSC Code:
12352108
NACRES:
NA.22
PubChem Substance ID:
MDL number:
Beilstein/REAXYS Number:
4861886
Assay:
≥97.0% (GC)
Form:
liquid
Quality Level
assay
≥97.0% (GC)
form
liquid
reaction suitability
reaction type: C-C Bond Formation
refractive index
n20/D 1.434
bp
86-87 °C/0.02 mmHg (lit.)
density
1.131 g/mL at 20 °C (lit.)
functional group
ester, phosphonate
SMILES string
COP(=O)(CC(=O)OC(C)(C)C)OC
InChI
1S/C8H17O5P/c1-8(2,3)13-7(9)6-14(10,11-4)12-5/h6H2,1-5H3
InChI key
SAZYDWOWLRDDRQ-UHFFFAOYSA-N
Application
Reactant for:
- Preparation of phosphonate terminated PPH dendrimers as anti-HIV-1 agents
- Preparation of monodehydro diketopiperazines from ketoacyl amino acid amides via acid-catalyzed cyclization
- Preparation of α,β-unsaturated esters for use in the guanidine-catalyzed oxa-Michael addition
- Preparation of myxopyronin B and desmethyl myxopyronin B analogs, with antibacterial activity and inhibitory activity against bacterial RNA polymerase
- Allylation and subsequent ring-closing metathesis in presence of Grubbs′ catalyst or intramolecular rhodium-catalyzed cyclopropanation reactions
Other Notes
Horner-Wittig reagent giving preferentially (E)-α,β-unsat. esters which are mildly saponified with acid. Synthesis of derivatives by reductive alkylation
signalword
Warning
hcodes
Hazard Classifications
Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
target_organs
Respiratory system
Storage Class
10 - Combustible liquids
wgk
WGK 3
flash_point_f
230.0 °F - closed cup
flash_point_c
110.0 °C - closed cup
ppe
Eyeshields, Gloves, type ABEK (EN14387) respirator filter
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A novel synthesis of (+/-)-vermiculine.
Y Fukuyama et al.
Journal of the American Chemical Society, 99(2), 646-647 (1977-01-19)
G.W.J. Fleet et al.
Journal of the Chemical Society. Perkin Transactions 1, 905-905 (1984)
C. Kuroda et al.
The Journal of Organic Chemistry, 51, 956-956 (1986)
Global Trade Item Number
| SKU | GTIN |
|---|---|
| 79522-25ML | 04061838129581 |
| 79522-100ML | 04061838129574 |