15672-88-5

Usage

Uses

Used in Organic Synthesis:
1-IODO-3,3-DIMETHYLBUTANE is used as a synthetic intermediate for the production of various organic compounds. Its unique structure allows it to be a valuable building block in the creation of pharmaceuticals, agrochemicals, and other specialty chemicals.
Used in Organic Chemistry Research:
In the field of organic chemistry, 1-IODO-3,3-DIMETHYLBUTANE serves as a research compound, facilitating the study of reaction mechanisms, the development of new synthetic methods, and the exploration of chemical properties of iodoalkanes.

InChI:InChI=1/C6H13I/c1-6(2,3)4-5-7/h4-5H2,1-3H3

Upstream product

• 1647-23-0 3,3-dimethylbutyl bromide 
• 69436-45-9 3,3-dimethylbutyl methanesulphonate 
• 1327295-66-8 tBuCH₂CH₂Au(IPr) 
• 1070-83-3 tert-Butylacetic acid 
• 2855-08-5 1-chloro-3,3-dimethylbutane 
• 624-95-3 3,3-dimethylbutanol 

Downstream Products

• 223419-73-6 4-(7,7-Dimethyl-oct-3-ynyl)-1-trityl-1H-imidazole 
• 491836-91-0 1-fluoro-4,4-dimethyl-1-tosylpentane 
• 1126651-95-3 Methyl 2,5,5-trimethyl-2-phenylhexanoate 
• 1300730-96-4 5-(3,3-dimethylbutoxy)-2-hydroxybenzaldehyde 
• 1300731-14-9 4-(5-(benzyloxy)-2-(3,3-dimethylbutoxy)phenyl)-1-trityl-1H-imidazole 
• 69393-31-3 Methyl-3,3-dimethylcyclopentyl-carboxylat 
• 223791-62-6 (Z)-methyl 5,5-dimethylhex-2-enoate 
• 36215-16-4 (E)-methyl 5,5-dimethylhex-2-enoate 
• 15673-05-9 4,4-dimethylvaleronitrile 
• 847444-89-7 (2R)-2,5,5-trimethyl-2-phenylhexanoic acid (1S)-1-phenylethanamine salt 
• 847444-90-0 diethyl (R)-2-(2,5,5-trimethyl-2-phenylhexanoyl)malonate 
• 847444-84-2 (R)-2,5,5-trimethyl-2-phenylhexanoic acid 
• 847444-67-1 2,5,5-trimethyl-2-phenylhexanoic acid 
• 1010100-51-2 C₂₂H₂₈O₂ 

Relevant academic research and scientific papers

Pd-Catalyzed intermolecular C-H bond arylation reactions: Effect of bulkiness of carboxylate ligands

A bulky carboxylic acid bearing one 1-adamantylmethyl and two methyl substituents at the α-position is demonstrated to work as an efficient carboxylate ligand source in Pd-catalyzed intermolecular C(sp2)-H bond arylation reactions. The reactions proceeded smoothly under mild conditions, taking advantage of the steric bulk of the carboxylate ligands.

Electrophilic Iron Catalyst Paired with a Lithium Cation Enables Selective Functionalization of Non-Activated Aliphatic C?H Bonds via Metallocarbene Intermediates

Combining an electrophilic iron complex [Fe(Fpda)(THF)]2 (3) [Fpda=N,N′-bis(pentafluorophenyl)-o-phenylenediamide] with the pre-activation of α-alkyl-substituted α-diazoesters reagents by LiAl(ORF)4 [ORF=(OC(CF3)3] provides unprecedented access to selective iron-catalyzed intramolecular functionalization of strong alkyl C(sp3)?H bonds. Reactions occur at 25 °C via α-alkyl-metallocarbene intermediates, and with activity/selectivity levels similar to those of rhodium carboxylate catalysts. Mechanistic investigations reveal a crucial role of the lithium cation in the rate-determining formation of the electrophilic iron-carbene intermediate, which then proceeds by concerted insertion into the C?H bond.

Two metals are better than one in the gold catalyzed oxidative heteroarylation of alkenes

We present a detailed study of the mechanism for oxidative heteroarylation, based on DFT calculations and experimental observations. We propose binuclear Au(II)-Au(II) complexes to be key intermediates in the mechanism for gold catalyzed oxidative heteroarylation. The reaction is thought to proceed via a gold redox cycle involving initial oxidation of Au(I) to binuclear Au(II)-Au(II) complexes by Selectfluor, followed by heteroauration and reductive elimination. While it is tempting to invoke a transmetalation/reductive elimination mechanism similar to that proposed for other transition metal complexes, experimental and DFT studies suggest that the key C-C bond forming reaction occurs via a bimolecular reductive elimination process (devoid of transmetalation). In addition, the stereochemistry of the elimination step was determined experimentally to proceed with complete retention. Ligand and halide effects played an important role in the development and optimization of the catalyst; our data provides an explanation for the ligand effects observed experimentally, useful for future catalyst development. Cyclic voltammetry data is presented that supports redox synergy of the Au...Au aurophilic interaction. The monometallic reductive elimination from mononuclear Au(III) complexes is also studied from which we can predict a ～15 kcal/mol advantage for bimetallic reductive elimination.

PHOSPHADIAZINE HCV POLYMERASE INHIBITORS I AND II

Provided herein are phosphadiazine polymerase inhibitor, for example, of any of Formula I, II, III, I′, II′, I″, II″, Ia, IIa, or IIIa, pharmaceutical compositions comprising the compounds, and processes of preparation thereof. Also provided are methods of their use for the treatment of an HCV infection in a host in need thereof.

Synthesis and SAR of novel 1,1-dialkyl-2(1H)-naphthalenones as potent HCV polymerase inhibitors

A series of gem-dialkyl naphthalenone derivatives with varied alkyl substitutions were synthesized and evaluated according to their structure-activity relationship. This investigation led to the discovery of potent inhibitors of the hepatitis C virus at l

Stereochemistry of hexenyl radical cyclizations with tert-butyl and related large groups: Substituent and temperature effects

The long held notion that hexenyl radicals bearing large substituents on the radical carbon cyclize to give 1,2-trans-substituted cyclopentanes is experimentally disproved by study of the radical cyclization of an assortment of simple and complex substrat

Reactions of the neohexyl iodide complex [(η5-C5H5)Re(NO)(PPh3)(ICH 2CH2C(CH3)3)]+BF 4- and nucleophiles: Stereochemistry of carbon-iodine bond cleavage in highly accelerated SN2 reactions

Reaction of (η5-C5H5)Re(NO)(PPh3)(CH 3), ICH2CH2C(CH3)3 (2), and HBF4·OEt2 in C6H5Cl gives neohexyl iodide complex [(η5-C5H5)Re(NO)(PPh3)(ICH 2CH2C(CH3)3)]+BF 4- (3, 81%). Complex 3 and PPh3 react (-40°C, CD2Cl2) to give [Ph3PCH2CH2C(CH3)3] +BF4- (7) and (η5-C5H5)Re(NO)(PPh3)(I) (6) in >99% spectroscopic yields. Complex 3 and [Ph3P..-N..-PPh3]+Br - (PPN+Br-) react (-40°C, CD2Cl2) to give BrCH2CH2C(CH3)3 (8) and 6 in 97-99% spectroscopic yields. Deuterated neohexyl halides erythro-ICHDCHDC(CH3)3 (erythro-2-d2), threo-2-d2, erythro-8-d2, and threo-8-d2 are prepared via (η5-C5H5)2Zr(Cl)(X) compounds. The labeled complexes erythro-3-d2 and threo-3-d2 are synthesized, and analogous reactions with PPN+Br- and PPh3 are conducted. Diastereomer ratios of the products 8-d2 and 7-d2, and all preceding deuterated compounds, are analyzed by 500-MHz 1H{2H} NMR spectroscopy. In all cases, the carbon-iodine bond in 3-d2 is cleaved with essentially complete inversion of configuration at carbon.

Pesticidal compounds

The present invention provides compounds of the formula (I): STR1 wherein R is a C2-10 non-aromatic hydrocarbyl group, a C2-10 non-aromatic hydrocarbyl group substituted by, or methyl substituted by cyano, halo, C1-4 alkox