610305-43-6

Basic information

• Product Name: 2-[4-(3,4-Dichloro-benzyl)-morpholin-2-ylmethyl]-isoindole-1,3-dione
• Synonyms: 2-[4-(3,4-Dichloro-benzyl)-morpholin-2-ylmethyl]-isoindole-1,3-dione;2-[[(2R)-4-[(3,4-Dichlorophenyl)methyl]morpholin-2-yl]methyl]isoindoline-1,3-dione
• CAS NO: 610305-43-6
• Molecular Formula: C₂₀H₁₈Cl₂N₂O₃
• Molecular Weight: 405.27
• Mol File: 610305-43-6.mol

Chemical Properties

• Boiling Point: 528.449°C at 760 mmHg
• Flash Point: 273.396°C
• Appearance: /
• Density: 1.412g/cm³
• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.636
• CAS DataBase Reference: 2-[4-(3,4-Dichloro-benzyl)-morpholin-2-ylmethyl]-isoindole-1,3-dione(CAS DataBase Reference)
• NIST Chemistry Reference: 2-[4-(3,4-Dichloro-benzyl)-morpholin-2-ylmethyl]-isoindole-1,3-dione(610305-43-6)
• EPA Substance Registry System: 2-[4-(3,4-Dichloro-benzyl)-morpholin-2-ylmethyl]-isoindole-1,3-dione(610305-43-6)

Safety Data

• Hazardous Substances Data: 610305-43-6(Hazardous Substances Data)

Usage

Molecular structure

A complex molecular structure containing an isoindole-1,3-dione backbone and a 3,4-Dichloro-benzyl group attached to a morpholin-2-ylmethyl substituent.

Potential pharmaceutical applications

The unique structure of the compound may allow it to interact with biological targets in the body, making it a potential candidate for pharmaceutical development.

Reactivity with biological nucleophiles

The presence of the isoindole-1,3-dione moiety in the compound suggests that it may have reactivity with biological nucleophiles, which could be important for its pharmaceutical action.

Influence on solubility and pharmacokinetic properties

The morpholin-2-ylmethyl group in the compound may affect its solubility and pharmacokinetic properties, which are important factors in determining the compound's effectiveness and safety as a pharmaceutical agent.

Need for further research and testing

To fully understand the chemical and biological properties of 2-[4-(3,4-Dichloro-benzyl)-morpholin-2-ylmethyl]-isoindole-1,3-dione, additional research and testing are required. This will help determine its potential as a pharmaceutical compound and guide further development efforts.

InChI:InChI=1/C20H18Cl2N2O3/c21-17-6-5-13(9-18(17)22)10-23-7-8-27-14(11-23)12-24-19(25)15-3-1-2-4-16(15)20(24)26/h1-6,9,14H,7-8,10-12H2/t14-/m1/s1

Upstream product

• 40172-06-3 N-(3,4-dichlorobenzyl)ethanoloamine 
• 161596-47-0 (S)-N-glycidylphthalimide 
• 1074-82-4 potassium phtalimide 
• 610785-35-8 2-{(2R)-3-[(3,4-dichlorobenzyl)(2-hydroxyethyl)amino]-2-hydroxypropyl}-1H-isoindole-1,3(2H)-dione 

Downstream Products

• 879402-30-9 (2S)-N-{[4-(3,4-dichlorobenzyl)morpholin-2-yl]methyl}chloroacetamide 
• 1002092-12-7 (2S)-[4-(carboxymethyl)thiazol-2-ylthio]-N-{[4-(3,4-dichlorobenzyl)morpholin-2-yl]methyl}acetamide hydrobromide 
• 879399-82-3 (2S)-[4-(carboxymethyl)thiazol-2-ylthio]-N-{[4-(3,4-dichlorobenzyl)morpholin-2-yl]methyl}acetamide 
• 407640-11-3 (2S)-2-aminomethyl-4-(3,4-dichlorobenzyl)morpholine 

Relevant articles and documents

A Mitsunobu diol cyclisation to chiral morpholines and dioxanes

A diol cyclisation under Mitsunobu conditions is presented, which allows access to chiral substituted morpholines and dioxanes. Georg Thieme Verlag Stuttgart.

NOVEL COMPOUND

Compound of formula (I); which is;3-({[({[(2S)-4-(3,4-dichlorobenzyl)morpholin-2-yl]methyl}amino)carbonyl]--amino}methyl)-N-ethylbenzamide;and salts and solvates thereof, a process for its preparation, pharmaceutical formulations containing it and its use

PROCESS FOR THE PREPARATION OF MORPHOLINE DERIVATIVES AND INTERMEDIATES THEREFORE

Processes for the preparation of a compound of formula (IIIA)(I), or a salt thereof; wherein; Z represents a bond, CO, SO2, CR10R7(CH2)n, (CH2)nCR10R7, CHR7(CH2)nO, CHR7(CH2)nS, CHR7(CH2)nOCO, CHR7(CH2)nCO, COCHR7(CH2)n or SO2CHR7(CH2)n; R6 represents C1-6 alkyl, C2-6 alkenyl, aryl, heteroaryl, aryl-C2-6 alkenyl-, -CN or a group of formula -Y2-J3; R7 represents hydrogen, C1-4 alkyl, CONR8R9 or COOC1-6 alkyl;a and b represent 1 or 2, such that a+b represents 2 or 3;n represents an integer from 0 to 4; M represents a C3-8 cycloalkyl or C3-8 cycloalkenyl group fused to a monocyclic aryl or monocyclic heteroaryl group; J3 represents a moiety of formula (K): (II), wherein X1 represents oxygen, NR11 or sulphur, X2 represents CH2, oxygen, NR12 or sulphur, m1 represents an integer from 1 to 3 and m2 represents an integer from 1 to 3, provided that m1+m2 is in the range from 3 to 5, also provided that when both X1 and X2 represent oxygen, NR11, NR12 or sulphur, m1 and m2 must both not equal less than 2, wherein (K) is optionally substituted by one or more (eg. 1 or 2) -Y3-aryl, -Y3-heteroaryl, -Y3-CO-aryl, -COC3-8 cycloalkyl, -Y3-CO-heteroaryl, -C1-6 alkyl, -Y3-COOC1-6 alkyl, -Y3-COC1-6 alkyl, -Y3-W, -Y3-CO-W, -Y3-NR15R16, -Y3-CONR15R16, hydroxy, oxo, -Y3-SO2NR15R16, -Y3-SO2C1-6 alkyl, -Y3-SO2aryl, -Y3-SO2heteroaryl, -Y3-NR13C1-6 alkyl, -Y3-NR13SO2C1-6 alkyl, -Y3-NR13CONR15R16, -Y3-NR13COOR14 or -Y3-OCONR15R16 groups, and is optionally fused to a monocyclic aryl or heteroaryl ring; R8, R9, R10, R11, R12, R13 and R14 independently represent hydrogen or C1-6 alkyl; R15 and R16 independently represent hydrogen or C1-6 alkyl or R15 and R16 together with the nitrogen atom to which they are attached may form a morpholine, piperidine or pyrrolidine ring; R17 and R18 independently represent hydrogen or C1-6 alkyl; W represents a saturated or unsaturated, non-aromatic 5-7 membered ring containing between 1 and 3 heteroatoms selected from nitrogen, oxygen or sulphur, optionally substituted with one or more C1-6 alkyl, halogen or hydroxy groups; Y1, Y2 and Y3 independently represent a bond or a group of formula -(CH2)pCRcRd(CH2)q- wherein Rc and Rd independently represent hydrogen or C1-4 alkyl or Rc and Rd may together with the carbon atom to which they are attached form a C3-8 cycloalkyl group, and p and q independently represent an integer from 0 to 5 wherein p + q is an integer from 0 to 5;, and; k is 1 or 2;are disclosed.