462152

Methyl 4-iodobutyrate

95%

• Linear Formula: I(CH₂)₃CO₂CH₃
• CAS Number: 14273-85-9
• Molecular Weight: 228.03
• MDL number: MFCD00674066
• UNSPSC Code: 12352100
• PubChem Substance ID: 24869947
• NACRES: NA.22

Properties

• Quality Level: 100
• 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
• SMILES string: COC(=O)CCCI
• InChI: 1S/C5H9IO2/c1-8-5(7)3-2-4-6/h2-4H2,1H3
• InChI key: NBCIIVXSBPDKOM-UHFFFAOYSA-N

Description

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.

Safety Information

• pictograms: GHS07
• signalword: Warning
• hcodes: H315,H319,H335
• pcodes: P261 - P264 - P271 - P280 - P302 + P352 - P305 + P351 + P338
• Hazard Classifications: Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
• target_organs: Respiratory system
• Storage Class: 11 - Combustible Solids
• wgk_germany: 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