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Benzenemethanaminium, N,N-dimethyl-N-(phenylmethyl)-, iodide, also known as (±)-N,N-dimethyl-N-benzhydrylammonium iodide, is an organic compound with the chemical formula C16H20IN. It is a white crystalline solid that is soluble in water and various organic solvents. Benzenemethanaminium, N,N-dimethyl-N-(phenylmethyl)-, iodide is a derivative of benzylamine, featuring a benzyl group attached to a dimethylamino group, and it carries a positive charge due to the presence of the ammonium ion. The iodide salt form is commonly used in chemical reactions and as a reagent in organic synthesis, particularly in the preparation of various pharmaceuticals and other organic compounds. It is also known for its use in the synthesis of chiral ligands and catalysts in asymmetric reactions.

52111-74-7

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52111-74-7 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 52111-74-7 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 5,2,1,1 and 1 respectively; the second part has 2 digits, 7 and 4 respectively.
Calculate Digit Verification of CAS Registry Number 52111-74:
(7*5)+(6*2)+(5*1)+(4*1)+(3*1)+(2*7)+(1*4)=77
77 % 10 = 7
So 52111-74-7 is a valid CAS Registry Number.

52111-74-7SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name dibenzyl(dimethyl)azanium,iodide

1.2 Other means of identification

Product number -
Other names Benzenemethanaminium,N,N-dimethyl-N-(phenylmethyl)-,iodide

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:52111-74-7 SDS

52111-74-7Downstream Products

52111-74-7Relevant academic research and scientific papers

Ni-Catalyzed Iterative Alkyl Transfer from Nitrogen Enabled by the in Situ Methylation of Tertiary Amines

Nwachukwu, Chideraa Iheanyi,McFadden, Timothy Patrick,Roberts, Andrew George

supporting information, p. 9979 - 9992 (2020/09/03)

Current methods to achieve transition-metal-catalyzed alkyl carbon-nitrogen (C-N) bond cleavage require the preformation of ammonium, pyridinium, or sulfonamide derivatives from the corresponding alkyl amines. These activated substrates permit C-N bond cleavage, and their resultant intermediates can be intercepted to affect carbon-carbon bond-forming transforms. Here, we report the combination of in situ amine methylation and Ni-catalyzed benzalkyl C-N bond cleavage under reductive conditions. This method permits iterative alkyl group transfer from tertiary amines and demonstrates a deaminative strategy for the construction of Csp3-Csp3 bonds. We demonstrate PO(OMe)3 (trimethylphosphate) to be a Ni-compatible methylation reagent for the in situ conversion of trialkyl amines into tetraalkylammonium salts. Single, double, and triple benzalkyl group transfers can all be achieved from the appropriately substituted tertiary amines. Transformations developed herein proceed via recurring events: The in situ methylation of tertiary amines by PO(OMe)3, Ni-catalyzed C-N bond cleavage, and concurrent Csp3-Csp3 bond formation.

Kinetic evidence for a novel, Grob-like substitution/fragmentation mechanism for the reaction of nucleophiles with trialkylammoniomethyl halides

Fletcher, Michelle O.,Zhang, Li,Vu, Quyen,Dolbier Jr., William R.

, p. 1187 - 1192 (2007/10/03)

Kinetic evidence is presented in favor of a concerted, bimolecular mechanism for the unusual nucleophilic substitution/fragmentation reactions of iodide ion with (halomethyl)trimethylammonium salts. The relative reactivities of allyl, ethyl and methyl groups for this Grob-like reaction are also determined. Activation parameters are presented for the thermal reactions of 1-iodo-N,N,N-trimethylmethaniminium iodide (log A = 8.7. Ea = 19.0 kcal mol-1) and 1-iodo-N-allyl-N,N-dimethylmethaniminium iodide (log A = 14.6, Ea = 25.7 kcal mol-1) in acetonitrile, the latter reaction having an observed second order rate constant 39 times larger than the former at 70 °C. The results are compared with the classic data of Hughes, Ingold and Conant for SN2 reactions of alkyl halides.

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