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121086-19-9

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121086-19-9 Usage

General Description

The compound CHEMBRDG-BB 5940253, also known as Diethyl 3,4-dimethyl-1H-pyrrole-2,5-dicarboxylate, is a chemical entity with a Molecular Weight of 262.31 and has a formula of C13H20N2O4. This chemical has applications in various organic synthesis reactions. One of its distinguished features is its pyrrole ring, which is foundational to many important biological compounds such as heme. Further specifics like structure data and physical properties can be needed for more detailed uses and they might vary based on its interaction with other substances.

Check Digit Verification of cas no

The CAS Registry Mumber 121086-19-9 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,2,1,0,8 and 6 respectively; the second part has 2 digits, 1 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 121086-19:
(8*1)+(7*2)+(6*1)+(5*0)+(4*8)+(3*6)+(2*1)+(1*9)=89
89 % 10 = 9
So 121086-19-9 is a valid CAS Registry Number.
InChI:InChI=1/C9H12BrN/c1-7(2)11-9-5-3-8(10)4-6-9/h3-7,11H,1-2H3

121086-19-9SDS

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 4-Bromo-N-isopropylaniline

1.2 Other means of identification

Product number -
Other names 4-bromo-N-propan-2-ylaniline

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:121086-19-9 SDS

121086-19-9Relevant articles and documents

Reductive Molybdenum-Catalyzed Direct Amination of Boronic Acids with Nitro Compounds

Suárez-Pantiga, Samuel,Hernández-Ruiz, Raquel,Virumbrales, Cintia,Pedrosa, María R.,Sanz, Roberto

supporting information, p. 2129 - 2133 (2019/01/25)

The synthesis of aromatic amines is of utmost importance in a wide range of chemical contexts. We report a direct amination of boronic acids with nitro compounds to yield (hetero)aryl amines. The novel combination of a dioxomolybdenum(VI) catalyst and triphenylphosphine as inexpensive reductant has revealed to be decisive to achieve this new C?N coupling. Our methodology has proven to be scalable, air and moisture tolerant, highly chemoselective and engages both aliphatic and aromatic nitro compounds. Moreover, this general and step-economical synthesis of aromatic secondary amines showcases orthogonality to other aromatic amine syntheses as it tolerates aryl halides and carbonyl compounds.

Alkylation of Amines with Alcohols and Amines by a Single Catalyst under Mild Conditions

Zou, Qingzhu,Wang, Chao,Smith, Jen,Xue, Dong,Xiao, Jianliang

supporting information, p. 9656 - 9661 (2015/06/30)

An efficient catalytic system for the alkylation of amines with either alcohols or amines under mild conditions has been developed, using cyclometallated iridium complexes as catalysts. The method has broad substrate scope, allowing for the synthesis of a diverse range of secondary and tertiary amines with good to excellent yields. By controlling the ratio of substrates, both mono- and bis-alkylated amines can be obtained with high selectivity. In particular, methanol can be used as the alkylating reagent, affording N-methylated products selectively. A strong solvent effect is observed for the reaction.

Potent direct inhibitors of factor Xa based on the tetrahydroisoquinoline scaffold

Al-Horani, Rami A.,Mehta, Akul Y.,Desai, Umesh R.

supporting information; experimental part, p. 771 - 783 (2012/09/08)

Direct inhibition of coagulation factor Xa (FXa) carries significant promise for developing effective and safe anticoagulants. Although a large number of FXa inhibitors have been studied, each can be classified as either possessing a highly flexible or a rigid core scaffold. We reasoned that an intermediate level of flexibility will provide high selectivity for FXa considering that its active site is less constrained in comparison to thrombin and more constrained as compared to trypsin. We studied several core scaffolds including 1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid for direct FXa inhibition. Using a genetic algorithm-based docking and scoring approach, a promising candidate 23 was identified, synthesized, and found to inhibit FXa with a Ki of 28 μM. Optimization of derivative 23 resulted in the design of a potent dicarboxamide 47, which displayed a Ki of 135 nM. Dicarboxamide 47 displayed at least 1852-fold selectivity for FXa inhibition over other coagulation enzymes and doubled PT and aPTT of human plasma at 17.1 μM and 20.2 μM, respectively, which are comparable to those of clinically relevant agents. Dicarboxamide 47 is expected to serve as an excellent lead for further anticoagulant discovery.

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