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Key Documents

462152

Sigma-Aldrich

Methyl 4-iodobutyrate

95%

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About This Item

Linear Formula:
I(CH2)3CO2CH3
CAS Number:
Molecular Weight:
228.03
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22

Quality Level

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.)

storage temp.

2-8°C

SMILES string

COC(=O)CCCI

InChI

1S/C5H9IO2/c1-8-5(7)3-2-4-6/h2-4H2,1H3

InChI key

NBCIIVXSBPDKOM-UHFFFAOYSA-N

General description

Methyl 4-iodobutyrate can be synthesized from methyl-4-chlorobutyrate and sodium iodide.

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.

Pictograms

Exclamation mark

Signal Word

Warning

Hazard Statements

Hazard Classifications

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

Target Organs

Respiratory system

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

210.2 °F - closed cup

Flash Point(C)

99 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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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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
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.
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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