56639-48-6

Basic information

• Product Name: Benzenemethanamine, 4-iodo-a-methyl-, (S)-
• Synonyms: Benzenemethanamine, 4-iodo-a-methyl-, (S)-;Benzenemethanamine, 4-iodo-α-methyl-, (αS)-;(s)-1-(4-iodophenyl)ethanaMine-HCl;(R)-1-(4-Iodophenyl)ethanaMine hydrochloride;(S)-4-iodo-a-Methyl-BenzeneMethanaMine;(S)-1-(4-Iodophenyl)ethanaMine;(S)-4-Iodo-alpha-methylbenzenemethanamine;(S)-1-(4-IODOPHENYL)ETHANAMINE HYDROCHLRIDE
• CAS NO: 56639-48-6
• Molecular Formula: C₈H₁₀IN
• Molecular Weight: 247.08
• EINECS: 200-589-5
• Product Categories: API intermediates
• Mol File: 56639-48-6.mol
• Article Data: 5

Chemical Properties

• Boiling Point: 264.8±23.0 °C(Predicted)
• Appearance: /
• Density: 1.661±0.06 g/cm3(Predicted)
• Storage Temp.: 2-8°C
• PKA: 8.87±0.10(Predicted)
• CAS DataBase Reference: Benzenemethanamine, 4-iodo-a-methyl-, (S)-(CAS DataBase Reference)
• NIST Chemistry Reference: Benzenemethanamine, 4-iodo-a-methyl-, (S)-(56639-48-6)
• EPA Substance Registry System: Benzenemethanamine, 4-iodo-a-methyl-, (S)-(56639-48-6)

Safety Data

• Hazardous Substances Data: 56639-48-6(Hazardous Substances Data)

Usage

General Description

Benzenemethanamine, 4-iodo-a-methyl-, (S)-, also known as 4-Iodo-2-methylphenethylamine, is a chemical compound with the molecular formula C9H11INO. It is a chiral compound, with the (S)-enantiomer having a specific rotation of -12.0°. Benzenemethanamine, 4-iodo-a-methyl-, (S)- is commonly used as a research chemical and has been studied for its potential applications in medicinal chemistry and neuroscience. It is also a key intermediate in the synthesis of various pharmaceuticals and other biologically active compounds. However,

InChI:InChI=1/C8H10IN.ClH/c1-6(10)7-2-4-8(9)5-3-7;/h2-6H,10H2,1H3;1H/t6-;/m1./s1

Upstream product

• 2627-86-3 (S)-1-phenyl-ethylamine 
• 2354-91-8 (S)-2,2,2-trifluoro-(α-methylbenzyl)acetamide 
• 203186-18-9 (S)-2,2,2-trifluoro-N-(1-(4-iodophenyl)ethyl)ethanamide 

Downstream Products

• 1446021-09-5 C₂₄H₃₀N₂O₄ 
• 1446021-03-9 C₁₆H₁₆INO₂ 
• 306297-60-9 4-{4-[1-(S)-(4-iodophenyl)ethyl]-3(S)-methyl-1-piperazinyl}-1-(tert-butoxycarbonyl)piperidine 
• 726188-52-9 (S)-1-[(S)-1-(4-Iodo-phenyl)-ethyl]-2-methyl-4-piperidin-4-yl-piperazine 
• 306297-56-3 (S)-1-[(S)-1-(4-Iodo-phenyl)-ethyl]-6-methyl-piperazine-2,5-dione 
• 306297-58-5 1-[1(S)-4-iodophenylethyl]-2(S)-methylpiperazine 
• 203186-21-4 (R)-2-{(2-Chloro-acetyl)-[(S)-1-(4-iodo-phenyl)-ethyl]-amino}-propionic acid ethyl ester 
• 203186-23-6 (R)-1-[(S)-1-(4-Iodo-phenyl)-ethyl]-6-methyl-piperazine-2,5-dione 
• 203186-25-8 (R)-1-[(S)-1-(4-Iodo-phenyl)-ethyl]-2-methyl-piperazine 
• 203186-20-3 (R)-2-[(S)-1-(4-Iodo-phenyl)-ethylamino]-propionic acid ethyl ester 

Relevant articles and documents

Tuning the Circular Dichroism and Circular Polarized Luminescence Intensities of Chiral 2D Hybrid Organic–Inorganic Perovskites through Halogenation of the Organic Ions

Through the incorporation of various halogen-substituted chiral organic cations, the effects of chiral molecules on the chiroptical properties of hybrid organic–inorganic perovskites (HOIPs) are investigated. Among them, the HOIP having a Cl-substituted chiral cation exhibits the highest circular dichroism (CD) and circular polarized luminescence (CPL) intensities, indicating the existence of the largest rotatory strength, whereas the F-substituted HIOP shows the weakest intensities. The observed modulation can be correlated to the varied magnetic transition dipole of HOIPs, which is sensitive to the d-spacing between inorganic layers and the halogen–halogen interaction between organic cations and the inorganic sheets. These counteracting effects meet the optimal CD and CPL intensity with chlorine substitution, rendering the rotatory strength of HOIPs arranged in the order of (ClMBA)2PbI4>(BrMBA)2PbI4>(IMBA)2PbI4>(MBA)2PbI4>(FMBA)2PbI4.

Synthesis and structure-Activity relationships of M2-Selective muscarinic receptor ligands in the 1-[4-(4-Arylsulfonyl)-phenylmethyl]-4-(4-piperidinyl)-piperazine family

The synthesis and muscarinic binding properties of compounds based on the 1-[4-(4-arylsulfonyl)phenylmethyl]-4-(1-aroyl-4-piperidinyl)-piperazine skeleton are described. For compounds, substituted with appropriately configured methyl groups at the benzylic center and at the piperazine 2-position, high levels of selective, M2 subtype affinity could be obtained, particularly when the terminal N-aroyl residue was ortho-substituted.

Piperazine-based CCR5 antagonists as HIV-1 inhibitors. II. Discovery of 1-[(2,4-dimethyl-3-pyridinyl)carbonyl]-4methyl-4-[3(S)-methyl-4-[1(S)-[4- (trifluoromethyl) phenyl]ethyl]-1-piperazinyl]piperidine N1-oxide (Sch-350634), an orally bioavailable, poten

Truncation of the original piperidino-2(S)-methyl piperazine lead structure 2, from a family of muscarinic antagonists, gave compound 8 which has improved selectivity for the HIV-1 co-receptor CCR5 over muscarinic receptors. Further optimization for pharm