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β-Aminomethyl-benzeneethanol, also known as β-phenylethanolamine, is an organic compound with the molecular formula C8H11NO. It is a colorless to pale-yellow oily liquid with a mild, floral odor. β-AMinoMethyl-benzeneethanol is characterized by its amine and alcohol functional groups, which contribute to its unique chemical properties and reactivity.

62247-39-6

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62247-39-6 Usage

Uses

Used in Pharmaceutical Industry:
β-Aminomethyl-benzeneethanol is used as a key intermediate in the synthesis of various pharmaceutical compounds, including thazolinones and gonadotropin-releasing hormone receptor antagonists.
1. Thazolinones Preparation:
β-Aminomethyl-benzeneethanol is used as a starting material for the preparation of thazolinones, which are potent CDK1 inhibitors. These compounds have demonstrated significant antitumor activity by inhibiting cell cycle progression and promoting apoptosis in cancer cells. The application of thazolinones in cancer therapy is an area of ongoing research and development.
2. Gonadotropin-Releasing Hormone Receptor Antagonists Synthesis:
β-Aminomethyl-benzeneethanol is also utilized in the synthesis of gonadotropin-releasing hormone (GnRH) receptor antagonists. These antagonists play a crucial role in the endocrine system by suppressing the release of hormones, such as luteinizing hormone (LH) and follicle-stimulating hormone (FSH), which are involved in the regulation of the reproductive system. GnRH receptor antagonists have been used in the treatment of various conditions, including endometriosis, uterine fibroids, and certain types of cancers, such as prostate cancer.

Check Digit Verification of cas no

The CAS Registry Mumber 62247-39-6 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 6,2,2,4 and 7 respectively; the second part has 2 digits, 3 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 62247-39:
(7*6)+(6*2)+(5*2)+(4*4)+(3*7)+(2*3)+(1*9)=116
116 % 10 = 6
So 62247-39-6 is a valid CAS Registry Number.

62247-39-6SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name 3-Amino-2-phenyl-1-propanol

1.2 Other means of identification

Product number -
Other names 1H-Pyrrolo[2,3-b]pyridine,3-amino-2-phenyl

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:62247-39-6 SDS

62247-39-6Relevant academic research and scientific papers

BIFUNCTIONAL COMPOUNDS

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Page/Page column 82; 83, (2021/05/07)

The invention provides a bifunctional compound of formula (I), or a pharmaceutically acceptable salt thereof, wherein said Targeting Ligand, Linker and Degron are as described herein.

FUSED [1,2,4]THIADIAZINE DERIVATIVES WHICH ACT AS KAT INHIBITORS OF THE MYST FAMILY

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Page/Page column 101, (2019/03/17)

A compound of formula (I): which inhibits the activity of one or more KATs of the MYST family, i.e., TIP60, KAT6B, MOZ, HBO1 and MOF.

RAPIDLY RELEASED BIOORTHOGONAL CAGING GROUPS

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Page/Page column 33-34, (2019/12/25)

Bioorthogonal molecules are disclosed and described. A bioorthogonal a molecule having a structure according to: Formula (I); where R2, R3, and R4 are independently selected from H, a substituted or unsubstituted C1/

Tuning Isonitrile/Tetrazine Chemistry for Accelerated Deprotection and Formation of Stable Conjugates

Xu, Minghao,Deb, Titas,Tu, Julian,Franzini, Raphael M.

, p. 15520 - 15529 (2019/11/29)

The isocyano group is a valuable functionality for bioorthogonal reactions because it rapidly reacts with tetrazines to either form stable conjugates or release payloads from 3-isocyanopropyl groups. Here we provide mechanistic insights into the dissociative steps that follow the initial cycloaddition and analyze how structural modifications affect these processes. Three main outcomes of this study have important implications for designing such groups for bioorthogonal applications. First, anion-stabilizing substituents at C-2 of the 3-isocyanopropyl group promote β-elimination and accelerate deprotection. Second, tetrazines with bulky substituents form stable imine conjugates even with primary isonitriles that are otherwise rapidly hydrolyzed. Third, the elimination step is independent from hydrolysis to the aldehyde and instead can occur directly from the imine intermediate. These findings will allow tuning the structures of tetrazine and isonitrile reactants for application in bioorthogonal ligation and release chemistry.

CHOLESTERYL ESTER TRANSFER PROTEIN INHIBITORS

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Page/Page column 28, (2008/06/13)

Compounds of Formula (I), including pharmaceutically acceptable salts of the compounds, are CETP inhibitors, and are useful for raising HDL-cholesterol, reducing LDL-cholesterol, and for treating or preventing atherosclerosis. In the compounds of Formula (I), A1 is a cyclic group, and B is a cyclic group which is attached to the heterocyclic ring directly or through a methylene group.

Thiazolinone unsubstituted quinolines

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Page/Page column 17, (2010/02/15)

Thiazolinone quinoline derivatives having no substitution on the quinoline ring active as CDK1 inhibitors which are useful as anti-proliferation agents such as for treating solid tumors.

Model Studies and First Synthesis of the Antifungal and Antibacterial Agent Cladobotryal

Clive, Derrick L. J.,Huang, Xiaojun

, p. 1872 - 1879 (2007/10/03)

The antifungal and antibacterial agent cladobotryal (1) was synthesized by a convergent route from lactone 31 and aldehyde 13, a key step in the elaboration of the pyridinone ring being conversion of a Boc group on nitrogen into a CO2SiPr-i3 group. The simple model compounds 9 and 10, representing the core of cladobotryal and of 5, respectively, were prepared as support studies for making the natural product.

First synthesis of the antifungal and antibacterial agent cladobotryal

Clive, Derrick L. J.,Huang, Xiaojun

, p. 2062 - 2063 (2007/10/03)

The antifungal and antibacterial agent cladobotryal (1) was synthesized by a convergent route from lactone 5 and aldehyde 12, a key step in the elaboration of the pyridinone ring being conversion of a t-BuOC(O) group on nitrogen into an i-Pr3SiOC(O) group.

SYNTHESIS AND STRUCTURE OF 5-PHENYLCYCLOPHOSPHAMIDES

Shih, Yun-Er,Wang, Jy-Shih

, p. 2799 - 2803 (2007/10/02)

5-Phenylcyclophosphamides have been sythesized from benzyl cyanide via carbethoxylation, reduction, and finally condensation with bis(2-chloroethyl)-phosphoramidic dichloride.The two diastereomers have been separated and their structures have been assigned on the basis of ir, P-31 nmr and X-ray crystallography.

Reaction Pathway for the Formation of 3,3-Diphenyl-1-benzenesulfonamidopropane in the Aluminum Chloride Catalyst Reaction of 1-Benzenesulfonyl-2-(bromomethyl)ethylenimine and Benzene

Gensler, Walter J.,Dheer, Surendra K.

, p. 4051 - 4057 (2007/10/02)

The Friedel-Crafts reaction of 1-benzenesulfonyl-2-(bromomethyl)ethylenimine-2-(14)C and benzene yields 3,3-diphenyl-1-benzenesulfonamidopropane-2-(14)C.This finding, coupled with the results of an earlier tracer study, shows that the order of atoms in the three-carbon chain of the starting etylenimine persists unchanged in the product.If so, a previously suggested pathway becomes unacceptable.Of the several test compounds exposed to the action of aluminum chloride and benzene as described in the present work, only 1-benzenesulfonyl-2-benzylethylenimine and 1-benzenesulfonyl-2-phenylazetidine gave 3,3-diphenyl-1-benzenesulfonamidopropane.Since the azetidine compound could be eliminated as an intermediate in the ethylenimine process, this left only the benzyl derivative as an eligible intermediate.These data led to a revised pathway, which accommodates all the facts.An early stage in the mechanism is taken as conversion of the ethylenimine starting material to 1-benzenesulfonyl-2-benzylethylenimine.Under the reaction conditions, the latter compound generates a carbocationoid center on the middle carbon atom of its three-carbon chain.By a 1,2 hydride shift, this carbocation rearranges to the more stable benzylic carbocation, which combines with benzene to form the final product.

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