110349-26-3

Basic information

• Product Name: t-Butyl2-iodobenzoate
• Synonyms: t-Butyl2-iodobenzoate;tert-Butyl 2-iodobenzoate
• CAS NO: 110349-26-3
• Molecular Formula: C₁₁H₁₃IO₂
• Molecular Weight: 304.12419
• Mol File: 110349-26-3.mol
• Article Data: 16

Chemical Properties

• Boiling Point: 142 °C(Press: 1 Torr)
• Appearance: /
• Density: 1.528±0.06 g/cm3(Predicted)
• CAS DataBase Reference: t-Butyl2-iodobenzoate(CAS DataBase Reference)
• NIST Chemistry Reference: t-Butyl2-iodobenzoate(110349-26-3)
• EPA Substance Registry System: t-Butyl2-iodobenzoate(110349-26-3)

Safety Data

• Hazardous Substances Data: 110349-26-3(Hazardous Substances Data)

Usage

General Description

t-Butyl 2-iodobenzoate is an organic compound with the chemical formula C11H13IO2. It is a white to off-white crystalline powder that is commonly used as a reagent in organic synthesis, particularly in the synthesis of aromatic compounds. t-Butyl 2-iodobenzoate is a versatile chemical that can be used as a source of the t-butyl ester group in organic reactions. It is also used as a precursor in the synthesis of pharmaceuticals and agrochemicals. Additionally, t-Butyl 2-iodobenzoate is a useful compound in the field of medicinal chemistry due to its potential as a building block for drug development. However, it is important to handle this chemical with care as it may be hazardous if not used properly.

Upstream product

• 774-65-2 benzoic acid tert-butyl ester 
• 609-67-6 2-Iodobenzoyl chloride 
• 75-65-0 tert-butyl alcohol 
• 88-67-5 2-Iodobenzoic acid 
• 115-11-7 isobutene 
• 865-47-4 potassium tert-butylate 

Downstream Products

• 114772-36-0 tert-butyl 4'-methyl-2-biphenylcarboxylate 
• 596-29-2 3,3-diphenyl-2-benzofuran-1(3H)-one 
• 5398-11-8 3-phenylphthalide 
• 18019-56-2 3-methyl-3-phenylphthalide 
• 774-65-2 benzoic acid tert-butyl ester 
• 137786-59-5 3-hexyl-3H-isobenzofuran-1-one 
• 494747-17-0 tert-butyl 2-(phenylethynyl)benzoate 
• 1001350-42-0 C(CH₃)3O₂CC₆H₄P(CH₃)(C₆H₅)(BH₃) 
• 88-67-5 2-Iodobenzoic acid 
• 65-85-0 benzoic acid 
• 1123890-52-7 tert-butyl {[⁽²⁾H₅]-phenyl(4-bromophenyl)phosphinyl}benzoate 
• 1394130-38-1 C₃₇H₄₃N₅OSSi 

Relevant articles and documents

Discovery of substituted biphenyl imidazoles as potent, bioavailable bombesin receptor subtype-3 agonists

We report SAR studies on a novel non-peptidic bombesin receptor subtype-3 (BRS-3) agonist lead series derived from high-throughput screening hit RY-337. This effort led to the discovery of compound 22e with significantly improved potency at both rodent and human BRS-3.

Lipshutz-type bis(amido)argentates for directed: Ortho argentation

Bis(amido)argentate (TMP)2Ag(CN)Li2 (3, TMP-Ag-ate; TMP = 2,2,6,6-tetramethylpiperidido) was designed as a tool for chemoselective aromatic functionalization via unprecedented directed ortho argentation (DoAg). X-Ray crystallographic analysis showed that 3 takes a structure analogous to that of the corresponding Lipshutz cuprate. DoAg with this TMP-Ag-ate afforded multifunctional aromatics in high yields in processes that exhibited high chemoselectivity and compatibility with a wide range of functional groups. These included organometallics- A nd transition metal-susceptible substituents such as methyl ester, aldehyde, vinyl, iodo, (trifluoromethanesulfonyl)oxy and nitro groups. The arylargentates displayed good reactivity with various electrophiles. Chalcogen (S, Se, and Te) installation and azo coupling reactions also proceeded efficiently.

Metal-Free Synthesis of 4-Chloroisocoumarins by TMSCl-Catalyzed NCS-Induced Chlorinative Annulation of 2-Alkynylaryloate Esters

4-Chloroisocoumarins can be conveniently prepared from 2-alkynylaryloate esters via the activation of alkynes by electrophilic chlorine, generated in situ from N-chlorosuccinimide (NCS) in the presence of 10 mol % trimethylsilyl chloride (TMSCl), which leads to 6-endo-dig-selective chlorinative annulation to give the desired products in moderate to quantitative yields. The procedure employs readily available reagents and can be conveniently carried out on a wide scope of substrates under mild conditions (0 °C to rt). Furthermore, the reaction is scalable for gram-scale preparation of 4-chloroisocoumarins. Additionally, 4-bromo- and 4-iodoisocoumarins can be prepared in moderate to good yields by replacing NCS with N-bromosuccinimide (NBS) and N-iodosuccinimide (NIS), respectively.