133040-03-6

Basic information

• Product Name: METHYL 4-[(2-BUTYL-5-FORMYL-1H-IMIDAZOL-1-YL)METHYL]BENZOATE
• Synonyms: METHYL 4-[(2-BUTYL-5-FORMYL-1H-IMIDAZOL-1-YL)METHYL]BENZOATE;4-[(2-Butyl-5-forMyliMidazol-1-yl)Methyl]benzoic Acid Methyl Ester
• CAS NO: 133040-03-6
• Molecular Formula: C₁₇H₂₀N₂O₃
• Molecular Weight: 300.3523
• Product Categories: Aromatics Compounds;Aromatics;Intermediates & Fine Chemicals;Pharmaceuticals
• Mol File: 133040-03-6.mol

Chemical Properties

• Melting Point: 72-74 °C
• Boiling Point: 473.8 °C at 760 mmHg
• Flash Point: 240.4 °C
• Appearance: /
• Density: 1.13 g/cm³
• Solubility: Dichloromethane, Methanol
• PKA: 4.26±0.34(Predicted)
• CAS DataBase Reference: METHYL 4-[(2-BUTYL-5-FORMYL-1H-IMIDAZOL-1-YL)METHYL]BENZOATE(CAS DataBase Reference)
• NIST Chemistry Reference: METHYL 4-[(2-BUTYL-5-FORMYL-1H-IMIDAZOL-1-YL)METHYL]BENZOATE(133040-03-6)
• EPA Substance Registry System: METHYL 4-[(2-BUTYL-5-FORMYL-1H-IMIDAZOL-1-YL)METHYL]BENZOATE(133040-03-6)

Safety Data

• Hazardous Substances Data: 133040-03-6(Hazardous Substances Data)

Usage

Uses

Used in Organic Synthesis:
METHYL 4-[(2-BUTYL-5-FORMYL-1H-IMIDAZOL-1-YL)METHYL]BENZOATE is used as a synthetic intermediate for the development of various organic compounds. Its unique chemical structure allows it to be a versatile building block in the synthesis of complex molecules, contributing to the advancement of organic chemistry.
Used in Pharmaceutical Industry:
In the pharmaceutical industry, METHYL 4-[(2-BUTYL-5-FORMYL-1H-IMIDAZOL-1-YL)METHYL]BENZOATE is used as a key component in the development of new drugs. Its chemical properties make it a promising candidate for the creation of novel therapeutic agents, potentially leading to breakthroughs in the treatment of various diseases.
Used in Chemical Research:
METHYL 4-[(2-BUTYL-5-FORMYL-1H-IMIDAZOL-1-YL)METHYL]BENZOATE is also utilized in chemical research as a test compound. Its unique properties and reactivity make it an interesting subject for studying various chemical reactions and mechanisms, furthering our understanding of organic chemistry and its applications.
Used in Material Science:
In the field of material science, METHYL 4-[(2-BUTYL-5-FORMYL-1H-IMIDAZOL-1-YL)METHYL]BENZOATE can be used as a component in the development of new materials with specific properties. Its oil-like nature may contribute to the creation of materials with improved characteristics, such as enhanced stability or reactivity, for various applications.

InChI:InChI=1S/C17H20N2O3/c1-3-4-5-16-18-10-15(12-20)19(16)11-13-6-8-14(9-7-13)17(21)22-2/h6-10,12H,3-5,11H2,1-2H3

Upstream product

• 133040-02-5 2-butyl-4-chloro-1-<(4-carbomethoxyphenyl)methyl>-1H-imidazole-5-carboxaldehyde 
• 154371-54-7 2-butyl-1-(4-carbomethoxybenzyl)-4-iodoimidazole-5-carboxaldehyde 
• 59518-66-0 2-bromo-3-ethoxy-2-propenal 
• 198065-80-4 methyl 4-[[N-(1-iminopentyl)amino]methyl]benzoate 
• 2417-72-3 Methyl 4-(bromomethyl)benzoate 
• 68282-49-5 2-butyl-1H-imidazole-5-carboxaldehyde 
• 50790-93-7 2-butyl-1H-imidazole 
• 110-59-8 pentanonitrile 
• 57246-71-6 methyl pentanimidate 
• 18469-52-8 methyl 4-(aminomethyl)benzoate 
• 68283-19-2 2-butyl-5-hydroxymethyl-1H-imidazole 
• 146771-83-7 2-butyl-4-iodoimidazole-5-carboxaldehyde 
• 7440-44-0 pyrographite 
• 154371-51-4 1-(benzyloxymethyl)-2-butyl-4-iodoimidazole-5-carboxaldehyde 

Downstream Products

• 133040-04-7 2-butyl-1-(4-carbomethoxybenzyl)-5-<2-carbomethoxy-1-hydroxy-3-(2-thienyl)propyl>imidazole 
• 133040-06-9 methyl (E)-3-<2-butyl-1-<(4-carbomethoxyphenyl)methyl>imidazol-5-yl>-2-(2-thienylmethyl)-2-propenoate 
• 152148-20-4 methyl Z-4-[[2-Butyl-5-[[1-ethyl-2,5-dioxo-4-imidazolidinylidene]methyl]-1H-imidazol-1-yl]methyl]benzoate 
• 152147-22-3 methyl Z-4-[[2-butyl-5-[[1-(methoxymethyl)-2,5-dioxo-4-imidazolidinylidene]methyl]-1H-imidazol-1-yl]methyl]benzoate 
• 152146-88-8 methyl (E)-4-<<2-butyl-5-<(1-butyl-2,5-dioxo-4-imidazolidinylidene)methyl>-1H-imidazol-1-yl>methyl>benzoate 
• 152146-86-6 methyl (Z)-4-<<2-butyl-5-<(1-butyl-2,5-dioxo-4-imidazolidinylidene)methyl>-1H-imidazol-1-yl>methyl>benzoate 

Relevant articles and documents

DUAL-ACTING ANTIHYPERTENSIVE AGENTS

In one aspect, the invention relates to compounds having the formula: wherein: Ar, r, Z, X, R3, and R5-7 are as defined in the specification, or a pharmaceutically acceptable salt thereof. These compounds have AT1 receptor antagonist activity and neprilysin inhibition activity. In another aspect, the invention relates to pharmaceutical compositions comprising such compounds; methods of using such compounds; and process and intermediates for preparing such compounds.

IMPROVED PROCESS FOR MANUFACTURING ANHYDROUS (E)-3-[2-BUTYL-1- {(4-CARBOXYPHENYL) METHYL}-1H-IMIDAZOLE-5-YL]-(THIOPHEN-2- YLMETHYL)PROP-2-ENOIC ACID METHANE SULFONATE

The present invention relates to a simple efficient and cost effective process for commercial manufacture of (E)-3-[2-Butyl-1-{(4-carboxyphenyl) methyl}-1H-imidazole-5-yl]- 2-(thiophen-2-ylmethyl)prop-2-enoic acid and its conversion to substantially pure

IMPROVED PROCESS FOR EPROSARTAN

The present invention provides an improved and commercially viable process for preparation of eprosartan and its pharmaceutically acceptable acid addition salts thereof in high purity and in high yield. Thus, for example, methyl 4-[[2-butyl-5-formyl-1 H-i

Synthesis and angiotensin II antagonist activity of novel 2-arylthio-3-(2-alkyl-1-(4-carboxybenzyl)imidazolyl)acrylic acids

A series of 2-arylthio-3-(2-alkyl-1-(4-carboxybenzyl)imidazolyl)acrylic acids were synthesized and evaluated as angiotensin II antagonists on guinea-pig ileal smooth muscle. 2-Phenylthio-3-(2-n-butyl-1-(4-carboxybenzyl)imidazolyl) acrylic acid was found t

Substituted imidazolyl-alkylthio-alkanoic acids

Angiotensin II receptor antagonists having the formula: STR1 which are useful in regulating hypertension and in the treatment of congestive heart failure, renal failure, and glaucoma, pharmaceutical compositions including these antagonists, and methods of using these compounds to produce angiotensin II receptor antagonism in mammals.

A New Regioselective Synthesis of 1,2,5-Trisubstituted 1H-Imidazoles and Its Application to the Development of Eprosartan

A new method is presented for the preparation of 1,2-disubstitued-1H-imidazole-5-carboxaldehydes by the reaction of N-monosubstituted amidines with 2-halo-3-alkoxy-2-propenals. The reaction is highly regioselective with ratios of 1,2,5:1,2,4-imidazolecarboxaldehydes ranging from 85:15 to 100: 0. This methodology could be extended with similar results to the synthesis of imidazole-5-nitriles by the reaction of 2-bromo-3-methoxy-2-propenenitrile with N-monosubstituted amidines.

Syntheses of substituted-pyrrolo[2,3-d]imidazoles and substituted-pyrrolo[3,2-d]imidazoles

Starting from the readily available 2-alkyl-4-formylimidazole substituted-pyrrolo[2,3-d]imidazoles and substituted-pyrrolo[3,2-d]imidazoles have been prepared.

SUBSTITUTED-5-METHYLIDENE HYDANTOINS WITH AT1 RECEPTOR ANTAGONIST PROPERTIES

Substituted 1-benzylimidazole-5-methylidene hydantoins are disclosed as well as methods of preparing them, pharmaceutical compositions containing them, and method of using them. Intermediates useful in the preparation of the compounds of the invention are also disclosed and synthetic methods for preparing the novel intermediates. The compounds are useful as antagonists of angiotensin II and thus are useful in the control of hypertension, hyperaldosteronism, congestive heart failure, surgically induced vascular smooth muscle proliferation, and glaucoma.

Potent Nonpeptide Angiotensin II Receptor Antagonists. 2. (1-Carboxybenzyl)imidazole-5-acrylic Acids

The further evolution of the imidazole-5-acrylic acid series of nonpeptide angiotensin II receptor antagonists is detailed (for Part 1, see: J.Med.Chem. 1992, 35, 3858).Modifications of the N-benzyl ring substitution were undertaken in an effort to mimic the Tyr4 residue of angiotensin II.Introduction of a p-carboxylic acid on the N-benzyl ring resulted in the discovery of compounds with nanomolar affinity for the receptor and good oral activity.SAR studies of these potent antagonists revealed that the thienyl ring, the (E)-acrylic acid, and the imidazole ring in addition to the two acid groups were important for high potency.Also, overlay comparisons of the parent diacid with both angiotensin II and a representative biphenylyltetrazole nonpeptide angiotensin II receptor antagonist are presented.The parent diacid analog, SKF 108566 or (E)-3--2-propenoic acid, is currently in clinical development for the treatment of hypertension.

2-butyl-4-iodoimidazole-5-carboxaldehyde: A versatile intermediate for the synthesis of highly functionalized imidazoles

The facile preparation of 2-butyl-4-iodoimidazole-5-carboxaldehyde 1 is described. The versatility of this intermediate in the synthesis of highly functionalized imidazoles is demonstrated with the synthesis of two potent and selective angiotensin II rece