462152
Methyl 4-iodobutyrate
95%
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About This Item
Linear Formula:
I(CH2)3CO2CH3
CAS Number:
Molecular Weight:
228.03
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
MDL number:
Product Name
Methyl 4-iodobutyrate, 95%
InChI
1S/C5H9IO2/c1-8-5(7)3-2-4-6/h2-4H2,1H3
SMILES string
COC(=O)CCCI
InChI key
NBCIIVXSBPDKOM-UHFFFAOYSA-N
assay
95%
form
solid
contains
copper as stabilizer
refractive index
n20/D 1.505 (lit.)
bp
80-83 °C/11 mmHg (lit.)
density
1.689 g/mL at 25 °C (lit.)
functional group
ester
iodo
storage temp.
2-8°C
Quality Level
Related Categories
Application
Methyl 4-iodobutyrate may be used as reagent in the synthesis of 4-[formyl-5-(methoxymethyl)-1H-pyrrol-1-yl] butanoic acid. It has been used in the synthesis of a range of stable S-adenosylmethionine (SAM) mimetics. Their ability to promote the binding of the E. coli methionine repressor (MetJ) to its operator DNA has been investigated.
General description
Methyl 4-iodobutyrate can be synthesized from methyl-4-chlorobutyrate and sodium iodide.
signalword
Warning
hcodes
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
210.2 °F - closed cup
flash_point_c
99 °C - closed cup
ppe
dust mask type N95 (US), Eyeshields, Gloves
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Catherine Joce et al.
Organic & biomolecular chemistry, 7(4), 635-638 (2009-02-06)
The efficient synthesis of a range of stable SAM mimetics, and their ability to promote the binding of the E. coli methionine repressor (MetJ) to its operator DNA, is described.
Young-Won Chin et al.
Bioorganic & medicinal chemistry letters, 13(1), 79-81 (2002-12-07)
As a part of our search for hepatoprotective compounds from Lycium chinense fruits, three new pyrrole derivatives (1-3) were isolated. These compounds and a related synthetic methylated compound (4) were evaluated for their biological activity and structure-activity relationship, and compounds
IgE-mediated immediate-type hypersensitivity to the pyrazolone drug propyphenazone.
Himly M, et al.
The Journal of Allergy and Clinical Immunology, 111(4), 882-888 (2003)
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