| Identification | More | [Name]
Methyl 6-bromohexanoate | [CAS]
14273-90-6 | [Synonyms]
6-BROMOHEXANOIC ACID METHYL ESTER
METHYL 6-BROMOHEXANOATE
Methyl 6-bromohexanoate 98%
Methyl 6-bromohexanoate, 96+% | [Molecular Formula]
C7H13BrO2 | [MDL Number]
MFCD00187528 | [Molecular Weight]
209.08 | [MOL File]
14273-90-6.mol |
| Chemical Properties | Back Directory | [Appearance]
Clear colorless to pale yellow liquid | [Boiling point ]
150°C/50mmHg | [density ]
1.316 | [refractive index ]
1.46 | [storage temp. ]
Sealed in dry,Room Temperature | [form ]
Liquid | [color ]
Clear colorless to pale yellow | [InChI]
InChI=1S/C7H13BrO2/c1-10-7(9)5-3-2-4-6-8/h2-6H2,1H3 | [InChIKey]
KYLVAMSNNZMHSX-UHFFFAOYSA-N | [SMILES]
C(OC)(=O)CCCCCBr | [CAS DataBase Reference]
14273-90-6(CAS DataBase Reference) |
| Hazard Information | Back Directory | [Chemical Properties]
Clear colorless to pale yellow liquid | [Uses]
Methyl 6-bromohexanoate serves as an alkylating reagent that reacts with dimethyl iminodiacetate in dry acetonitrile under nitrogen to afford the IDA triester[6]. It also acts as an alkylating agent in the preparation of pyrimidine-based hydroxamic acids, where 2-(alkylthio)pyrimidin-4(3H)-ones are alkylated with the ester and the resulting esters are converted to hydroxamic acids by aminolysis with hydroxylamine[7]. | [Synthesis]
1. Synthesis of methyl 6-bromohexanoate: Dissolve 5.01 g (25.7 mmol) of 6-bromohexanoic acid in 250 mL of methanol and introduce hydrogen chloride gas by vigorous bubbling for 2-3 minutes. The reaction mixture was stirred at 15-25°C for 3 hours. Upon completion of the reaction, the solvent was removed by concentration to give 4.84 g of yellow oily product in 90% yield. The product was characterized by 1H NMR (DMSO-d6): δ 3.58 (3H, s), 3.51 (2H, t), 2.29 (2H, t), 1.78 (2H, pentet), 1.62-1.27 ppm (4H, m). | [References]
[1] Patent: US2002/15705, 2002, A1
[2] Patent: US4436746, 1984, A
[3] Patent: US4539410, 1985, A
[4] Patent: EP2425861, 2012, A1
[5] Patent: US2012/65367, 2012, A1 |
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| Company Name: |
J & K SCIENTIFIC LTD.
|
| Telephone: |
18210857532 18210857532 |
| Website: |
https://www.jkchemical.com |
| Company Name: |
Energy Chemical
|
| Telephone: |
400-0056266 |
| Website: |
www.energy-chemical.com |
|