29823-18-5

Basic information

• Product Name: Ethyl 7-bromoheptanoate
• Synonyms: Ethyl 7-bromoheptanoate 97%;CHEMPACIFIC 43805;ETHYL W-BROMOHEPTANOATE;ETHYL 7-BROMOHEPTANOATE;7-BROMOHEPTANOIC ACID ETHYL ESTER;7-BROMOHEPTANOIC ACID ETHYL ESTER 96+%;Ai3-36604;Einecs 249-883-6
• CAS NO: 29823-18-5
• Molecular Formula: C₉H₁₇BrO₂
• Molecular Weight: 237.13
• EINECS: 249-883-6
• Product Categories: Pharmaceutical Intermediates;C8 to C9;Carbonyl Compounds;Esters
• Mol File: 29823-18-5.mol
• Article Data: 10

Chemical Properties

• Melting Point: 29 °C(lit.)
• Boiling Point: 112 °C5 mm Hg(lit.)
• Flash Point: >230 °F
• Appearance: /
• Density: 1.217 g/mL at 25 °C(lit.)
• Vapor Pressure: 0.0241mmHg at 25°C
• Refractive Index: n20/D 1.459(lit.)
• Storage Temp.: 2-8°C
• CAS DataBase Reference: Ethyl 7-bromoheptanoate(CAS DataBase Reference)
• NIST Chemistry Reference: Ethyl 7-bromoheptanoate(29823-18-5)
• EPA Substance Registry System: Ethyl 7-bromoheptanoate(29823-18-5)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36
• WGK Germany: 3
• HazardClass: IRRITANT
• Hazardous Substances Data: 29823-18-5(Hazardous Substances Data)

Usage

Description

Ethyl 7-bromoheptanoate is a bromoester that serves as an alkylating agent for organic compounds. It is a colorless to pale yellow liquid and is utilized in various chemical reactions and syntheses, particularly in the production of ω-chain shortened prostaglandins.

Uses

Used in Organic Synthesis:
Ethyl 7-bromoheptanoate is used as a starting material for the synthesis of benzyl 7-iodoheptanoate, which is an important intermediate in the production of various organic compounds.
Used in Pharmaceutical Research:
Ethyl 7-bromoheptanoate is used as one of the reactants in the synthesis of diethyl 7,7′-(2,5-diiodo-1,4-phenylene)bis(oxy)diheptanoate, a compound that may have potential applications in the pharmaceutical industry.
Used in the Synthesis of Carnitine-Derived Nitrones:
Ethyl 7-bromoheptanoate is employed as one of the reagents in the synthesis of CarnDOD-7C, a carnitine-derived nitrone that has potential applications in the field of neuroprotection and the treatment of neurodegenerative diseases.
Used as an Alkylating Agent:
Ethyl 7-bromoheptanoate is used as an alkylating agent in the alkylation of ethyl 3-oxoglutarate to form 2-(6-ethoxycarbonylhexyl)-3-oxoglutarate, a key step in the synthesis of various organic compounds.
Used in the Synthesis of 1-Substituted Cyclopentadienes:
Ethyl 7-bromoheptanoate is utilized in the synthesis of 1-substituted cyclopentadienes by alkylating lithium cyclopentadienide, which are important intermediates in the production of various organic compounds and materials.

InChI:InChI=1/C9H17BrO2/c1-2-12-9(11)7-5-3-4-6-8-10/h2-8H2,1H3

Upstream product

• 111-24-0 1,5-dibromo-pentane 
• 64-17-5 ethanol 
• 20965-27-9 7-bromo-heptanonitrile 
• 505-48-6 octane-1,8-dioic acid 
• 96251-91-1 ethyl (E)-7-hydroxyhept-2-enoate 
• 694-54-2 tetrahydro-2H-2-pyranol 
• 14113-01-0 Ethyl hydrogen suberate 
• 6149-48-0 ethyl 7-hydroxyheptanoate 
• 30515-28-7 7-bromoheptanoic acid 

Downstream Products

• 138594-31-7 1-O-<6-(Benzyloxycarbonyl)hexyl>-2-O-methylglycerol 
• 138594-25-9 1-O-<6-(Ethoxycarbonyl)hexyl>-3-O-tritylglycerol 
• 138594-28-2 1-O-<6-(Ethoxycarbonyl)hexyl>-2-O-methyl-3-O-trityl-glycerol 
• 138594-14-6 1-O-<6-Benzyloxycarbonylhexyl>-2-O-benzylglycero-3-phosphocholine 
• 139141-25-6 1-O-<6-(Benzyloxycarbonyl)hexyl>-2-O-benzylglycero-3-H-phosphonic acid triethylammonium salt 
• 139141-25-6 1-O-<6-(Benzyloxycarbonyl)hexyl>-2-O-benzyl-sn-glycero-3H-phosphonic acid triethylammonium salt 
• 138594-23-7 1-O-<6-(Benzyloxycarbonyl)hexyl>glycerol 
• 139141-20-1 1-O-<6-(Benzyloxycarbonyl)hexyl>-sn-glycerol 
• 139141-19-8 1-O-<6-(Benzyloxycarbonyl)hexyl>-2,3-isopropylideneglycerol 
• 139141-19-8 1-O-<6-(Benzyloxycarbonyl)hexyl>-2,3-isopropylidene-sn-glycerol 
• 139239-73-9 1-O-(6-Carboxyhexyl)-sn-glycero-3-phosphoserine 
• 138594-35-1 1-O-<6-(Benzyloxycarbonyl)hexyl>-2-O-benzylglycerol 
• 139141-23-4 1-O-<6-(Benzyloxycarbonyl)hexyl>-2-O-benzyl-sn-glycerol 

Relevant articles and documents

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COMPOUNDS AND COMPOSITIONS FOR INTRACELLULAR DELIVERY OF AGENTS

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The value of 2JP–CO as a diagnostic parameter for the structure and thermal reactivity of carbonyl-stabilised phosphonium ylides

A survey of 20 carbonyl-stabilised phosphonium ylides with recently reported X-ray structures shows a strong correlation between the C[dbnd]P to C[dbnd]O torsion angle and the value of 2JP–CO, with high values being associated with an anti configuration and low with syn. Seven new X-ray structural determinations are reported, several for types of ylide not crystallographically characterised before, and these also conform to this pattern. The value of 2JP–CO is then correlated with whether or not thermal extrusion of Ph3PO occurs to give alkynes for over 200 ylides and an empirical rule developed that the extrusion never occurs for ylides where this value is > 11 Hz. This is used to rationalise the anomalous behaviour of some trioxo ylides and cyclic ylides, two of which afford cycloalkynes, isolated after rearrangement as the isomeric 1,3-dienes. The rule also holds for a family of novel highly fluorinated ylides which afford fluorinated alkynes in good yield upon flash vacuum pyrolysis.