| Identification | More | [Name]
Ethyl 7-bromoheptanoate | [CAS]
29823-18-5 | [Synonyms]
7-BROMOHEPTANOIC ACID ETHYL ESTER
CHEMPACIFIC 43805
ETHYL 7-BROMOHEPTANOATE
ETHYL W-BROMOHEPTANOATE
7-BROMOHEPTANOIC ACID ETHYL ESTER 96+% | [EINECS(EC#)]
249-883-6 | [Molecular Formula]
C9H17BrO2 | [MDL Number]
MFCD00037103 | [Molecular Weight]
237.13 | [MOL File]
29823-18-5.mol |
| Questions And Answer | Back Directory | [Synthesis]
3.77 g of di-tert-butyl malonic acid was dissolved in 25 g of tert-butanol, and 1.96 g of potassium tert-butoxide and 2 g of 1,5-dibromopentane were added. The mixture was then heated to 45°C. 0.32 g of potassium tert-butoxide was added, and the mixture was stirred continuously for 1 hour. When the HPLC area percentage of di-tert-butyl malonic acid was less than 1%, 14 g of 10% aqueous acetic acid solution was added to remove the potassium tert-butoxide. 20 g of methyl tert-butyl ether was added to extract the resulting tetraester compound, and the organic layer was collected. This methyl tert-butyl ether layer was washed with 30 g of water, 30 g of 5% sodium bicarbonate aqueous solution, and 30 g of water. The water in the methyl tert-butyl ether layer was then removed with sodium sulfate. The sodium sulfate was removed by filtration, and the methyl tert-butyl ether was removed at 45°C. Finally, 3.11 g of ethyl 7-bromoheptanoate was obtained.  Figure 7. Synthetic Route of Ethyl 7-Bromoheptanoate |
| Chemical Properties | Back Directory | [Melting point ]
29 °C (lit.) | [Boiling point ]
112 °C/5 mmHg (lit.) | [density ]
1.217 g/mL at 25 °C(lit.)
| [refractive index ]
n20/D 1.459(lit.)
| [Fp ]
>230 °F
| [storage temp. ]
2-8°C | [form ]
neat | [color ]
Colorless to Almost colorless | [InChI]
InChI=1S/C9H17BrO2/c1-2-12-9(11)7-5-3-4-6-8-10/h2-8H2,1H3 | [InChIKey]
OOBFNDGMAGSNKA-UHFFFAOYSA-N | [SMILES]
C(OCC)(=O)CCCCCCBr | [CAS DataBase Reference]
29823-18-5(CAS DataBase Reference) |
| Safety Data | Back Directory | [Symbol(GHS) ]
GHS07 | [Signal word ]
Warning | [Hazard statements ]
H315-H319-H335 | [Precautionary statements ]
P261-P264-P271-P280-P302+P352-P305+P351+P338 | [Hazard Codes ]
Xi | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing . | [WGK Germany ]
3
| [REACH Registrations]
Active | [HazardClass ]
IRRITANT | [HS Code ]
2915907098 | [Storage Class]
10 - Combustible liquids | [Hazard Classifications]
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| Hazard Information | Back Directory | [Chemical Properties]
Colorless to pale yellow liquid | [Uses]
Ethyl 7-bromoheptanoate may be used in the following studies:
- As a starting material in the synthesis of benzyl 7-iodoheptanoate.
- As one of the reactant in the synthesis of diethyl 7,7′-(2,5-diiodo-1,4-phenylene)bis(oxy)diheptanoate.
- As one of the reagent in the synthesis of CarnDOD-7C, a carnitine-derived nitrone.
- As an alkylating agent in the alkylation of ethyl 3-oxoglutarate to form 2-(6-ethoxycarbonylhexyl)-3-oxoglutarate.
- Synthesis of 1-substituted cyclopentadiene by alkylating lithium cyclopentadienide.5
| [General Description]
Ethyl 7-bromoheptanoate is a bromoester. It is used as an alkylating agent for organic compounds. It participates in the synthesis of ω-chain shortened prostaglandins. |
|
| Company Name: |
J & K SCIENTIFIC LTD.
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| Telephone: |
18210857532 18210857532 |
| Website: |
https://www.jkchemical.com |
| Company Name: |
Alfa Aesar
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400-6106006 |
| Website: |
http://chemicals.thermofisher.cn |
| Company Name: |
Energy Chemical
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| Telephone: |
400-0056266 |
| Website: |
www.energy-chemical.com |
| Company Name: |
Jia Xing Isenchem Co.,Ltd
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| Telephone: |
0573-85285100 18627885956 |
| Website: |
https://www.chemicalbook.com/ShowSupplierProductsList14265/0_EN.htm |
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