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Merck
CN

462152

4-碘丁酸甲酯

95%

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线性分子式:
I(CH2)3CO2CH3
化学文摘社编号:
分子量:
228.03
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
MDL number:
Assay:
95%
Form:
solid
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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

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

signalword

Warning

Hazard Classifications

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

target_organs

Respiratory system

存储类别

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


历史批次信息供参考:

分析证书(COA)

Lot/Batch Number

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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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