70203-04-2

Basic information

• Product Name: Methyl 2-hexylacetoacetate
• Synonyms: METHYL 3-OXODECANOATE;METHYL 3-KETODECANOATE;METHYL 2-HEXYLACETOACETATE;METHYL 2-ACETYLOCTANOATE;OCTANOIC ACID, 2-ACETYL-, METHYL ESTER;METHYL 2-HEXYLACETOACETATE, WACKER QUALITY;Methyl 2-Hexylactoacetate;INTERMEDIATE OFAZIDOTHYMIDINE
• CAS NO: 70203-04-2
• Molecular Formula: C₁₁H₂₀O₃
• Molecular Weight: 200.27
• Mol File: 70203-04-2.mol
• Article Data: 9

Chemical Properties

• Boiling Point: 248°C
• Flash Point: 95.5 °C
• Appearance: /
• Density: 0.950 g/mL at 20 °C(lit.)
• Vapor Pressure: 0.038mmHg at 25°C
• Refractive Index: 1.432
• Storage Temp.: Refrigerator
• Solubility: Chloroform(Slightly), Ethyl Acetate (Slightly)
• CAS DataBase Reference: Methyl 2-hexylacetoacetate(CAS DataBase Reference)
• NIST Chemistry Reference: Methyl 2-hexylacetoacetate(70203-04-2)
• EPA Substance Registry System: Methyl 2-hexylacetoacetate(70203-04-2)

Safety Data

• Hazard Codes: N
• Statements: 51/53-50
• Safety Statements: 60-61
• RIDADR: UN 3082 9/PG 3
• Hazardous Substances Data: 70203-04-2(Hazardous Substances Data)

Usage

Chemical Properties

Clear Oil

Uses

Methyl 2-hexylacetoacetate is a reagent used in the preparation of agrochemicals and antimicrobial agents.

InChI:InChI=1/C11H20O3/c1-4-5-6-7-8-10(9(2)12)11(13)14-3/h10H,4-8H2,1-3H3

Upstream product

• 592-41-6 1-hexene 
• 105-45-3 acetoacetic acid methyl ester 
• 111-25-1 1-bromo-hexane 
• 544-10-5 1-Chlorohexane 
• 283610-84-4 methyl 2-hexenylacetoacetate 
• 66-25-1 hexanal 
• 111-27-3 hexan-1-ol 
• 638-45-9 1-Iodohexane 

Downstream Products

• 104801-82-3 methyl 2-hexyl-5-hydroxy-3-oxo-hexadecanoate 
• 111-11-5 methyl octanate 
• 334887-34-2 3-ethoxy-4-hexyl-5-methylisoxazole 
• 104872-04-0 Orlistat 
• 104801-93-6 2-hexyl-3-hydroxy-5-<(tetrahydro-2H-pyran-2-yl)oxy>hexadecanoic acid 
• 104801-67-4 methyl-2-hexyl-3-oxo-5-<(tetrahydro-2H-pyran-2-yl)oxy>hexadecanoate 
• 1225451-00-2 (R)-1'-<((2''S,3''S)-3''-hexyl-4''-oxo-2''-oxetanyl)methyl>dodecyl (S)-N-formylleucinate 
• 1225451-00-2 (S)-1-((2R,3R)-3-Hexyl-4-oxooxetan-2-yl)tridecan-2-yl formyl-L-leucinate 
• 1225451-00-2 (R)-1'-<((2''R,3''R)-3''-hexyl-4''-oxo-2''-oxetanyl)methyl>dodecyl (S)-N-formylleucinate 
• 7367-81-9 methyl (E)-oct-2-enoate 
• 68854-59-1 2-cis octenoic acid methyl ester 

Relevant articles and documents

Electrophilic Iron Catalyst Paired with a Lithium Cation Enables Selective Functionalization of Non-Activated Aliphatic C?H Bonds via Metallocarbene Intermediates

Combining an electrophilic iron complex [Fe(Fpda)(THF)]2 (3) [Fpda=N,N′-bis(pentafluorophenyl)-o-phenylenediamide] with the pre-activation of α-alkyl-substituted α-diazoesters reagents by LiAl(ORF)4 [ORF=(OC(CF3)3] provides unprecedented access to selective iron-catalyzed intramolecular functionalization of strong alkyl C(sp3)?H bonds. Reactions occur at 25 °C via α-alkyl-metallocarbene intermediates, and with activity/selectivity levels similar to those of rhodium carboxylate catalysts. Mechanistic investigations reveal a crucial role of the lithium cation in the rate-determining formation of the electrophilic iron-carbene intermediate, which then proceeds by concerted insertion into the C?H bond.

Synthesis and pharmacology of 3-isoxazolol amino acids as selective antagonists at group I metabotropic glutamic acid receptors

Using ibotenic acid (2) as a lead, two series of 3-isoxazolol amino acid ligands for (S)-glutamic acid (Glu, 1) receptors have been developed. Whereas analogues of (RS)-2-amino-3-(3-hydroxy- 5-methyl-4-isoxazolyl)propionic acid [AMPA, (RS)-3] interact sel

Process for the preparation of pure alkyl alkylacetoacetates

A process for the purification of alkyl alkylacetoacetates of the general formula: STR1 in which R1 is a C1 -C10 -alkyl group and R2 is a C1 -C4 -alkyl group. In the process, an alkyl alkylacetoacetate which contains an alkyl alkenylacetoacetate of the general formula: STR2 in which R1 and R2 have the above-stated meaning, and/or further by-products as an impurity, is converted with an ester of the general formula: STR3 in which R2 has the above-stated meaning, in the presence of a base, into an intermediate which is separated off.