1866-03-1

Basic information

• Product Name: Benzaldehyde, 2-methyl-5-(1-methylethyl)- (9CI)
• Synonyms: Benzaldehyde, 2-methyl-5-(1-methylethyl)- (9CI);3-Isopropyl-6-methyl benzaldehyde
• CAS NO: 1866-03-1
• Molecular Formula: C₁₁H₁₄O
• Molecular Weight: 162.22826
• Product Categories: ISOPROPYL
• Mol File: 1866-03-1.mol
• Article Data: 5

Chemical Properties

• Appearance: /
• CAS DataBase Reference: Benzaldehyde, 2-methyl-5-(1-methylethyl)- (9CI)(CAS DataBase Reference)
• NIST Chemistry Reference: Benzaldehyde, 2-methyl-5-(1-methylethyl)- (9CI)(1866-03-1)
• EPA Substance Registry System: Benzaldehyde, 2-methyl-5-(1-methylethyl)- (9CI)(1866-03-1)

Safety Data

• Hazardous Substances Data: 1866-03-1(Hazardous Substances Data)

Upstream product

• 2437-76-5 2-bromo-p-cymene 
• 68-12-2 N,N-dimethyl-formamide 
• 99-87-6 4-methylisopropylbenzene 
• 332047-72-0 tris(diformylamino)methane 
• 25891-31-0 triformylamine 
• 7664-93-9 sulfuric acid 
• 7647-01-0 hydrogenchloride 
• 1866-01-9 5-isopropyl-2-methylbenzyl chloride 
• 1866-02-0 5-isopropyl-2-methyl-benzyl alcohol 

Downstream Products

• 3754-72-1 5-isopropyl-2-methyl-benzoic acid 
• 2226-18-8 5-isopropyl-2-methyl-benzaldehyde-semicarbazone 
• 108237-35-0 3-(5-isopropyl-2-methyl-phenyl)-2-pentyl-acrylaldehyde 
• 1866-02-0 5-isopropyl-2-methyl-benzyl alcohol 
• 4389-67-7 5-isopropyl-2-methyl-mandelic acid 
• 94374-57-9 α--β-<2-methyl-5-isopropyl-phenyl>-acrolein 
• 4471-45-8 5-isopropyl-2-methyl-cinnamaldehyde 
• 4395-83-9 1-Methyl-4-isopropyl-zimtsaeure-⁽²⁾ 
• 91639-85-9 1-Methyl-4-isopropyl-mandelsaeure-nitril-⁽²⁾ 
• 2226-16-6 3,5-dinitro-benzoic acid-(5-isopropyl-2-methyl-benzyl ester) 
• 2226-17-7 5-isopropyl-2-methyl-benzaldehyde-(2,4-dinitro-phenylhydrazone) 
• 4395-83-9 5-isopropyl-2-methyl-trans-cinnamic acid 

Relevant articles and documents

PYRROLO-PYRIDINE, PYRROLO-PYRIMIDINE AND RELATED HETEROCYCLIC COMPOUNDS

Pyrrolo-pyridine, pyrrolo-pyrimidine and related heterocyclic compounds analogues of the formula: wherein R, R2, R5, E, Z1, Z3, Z4, and Ar are defined herein. Such compounds are ligands of C5a receptors. Preferred pyrrolo-pyridine, pyrrolo-pyrimidine and related heterocyclic compounds of the invention bind to C5a receptors with high affinity and exhibit neutral antagonist or inverse agonist activity at C5a receptors. The present invention also relates to pharmaceutical compositions comprising such compounds, and to the use of such compounds in treating a variety of inflammatory, cardiovascular, and immune system disorders. In addition, the present invention provides labeled pyrrolo-pyridine, pyrrolo-pyrimidine and related heterocyclic compounds, which are useful as probes for the localization of C5a receptors.

New formylating agents - Preparative procedures and mechanistic investigations

The reactivity of new formylating agents related to formamide has been investigated both experimentally and theoretically. The reaction in 1,2-dichloroethane between tris(diformylamino)methane (2) and several arenes, catalyzed by AlCl3 or BCl3, was shown to proceed in good yields to afford the corresponding para-substituted aldehydes. The nature of the active electrophilic species was also investigated theoretically. Thus, the relative stability of the O- and N-protonated forms, as well as those of AlCl3 adducts, of several formylating agents - diformamide, triformamide, N,N,N′,N′-tetraformylhydrazine, and tris(diformylamino)methane - were determined in the gas phase and in water or DCE by means of DFT calculations at the B3LYP/6-311++G(d,p) level, the solvents being modeled with the IPCM method. The amide oxygen atom in all cases appeared to be the most basic site, both in the Bronsted and Lewis sense, constituting a first step towards the understanding of the mechanism of this reaction.

The isomeric aldehydes derived from p-cymene.

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