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重要文件

414131

Sigma-Aldrich

1-溴频哪酮

≥97%

同義詞:

1-溴-3,3-二甲基-2-丁酮, 溴甲基叔丁基酮

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About This Item

線性公式:
(CH3)3CCOCH2Br
CAS號碼:
分子量::
179.05
Beilstein:
506485
EC號碼:
MDL號碼:
分類程式碼代碼:
12352100
PubChem物質ID:
NACRES:
NA.22

品質等級

化驗

≥97%

形狀

liquid

折射率

n20/D 1.466 (lit.)

bp

188-194 °C (lit.)

mp

−10 °C (lit.)

密度

1.331 g/mL at 25 °C (lit.)

官能基

bromo
ketone

儲存溫度

−20°C

SMILES 字串

CC(C)(C)C(=O)CBr

InChI

1S/C6H11BrO/c1-6(2,3)5(8)4-7/h4H2,1-3H3

InChI 密鑰

SAIRZMWXVJEBMO-UHFFFAOYSA-N

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一般說明

1-Bromopinacolone is an α-bromoketone-aldehyde. Coupling of 1-bromopinacolone with various aldehyde electrophiles catalyzed by SmI2 has been reported. It acts as reversible competitive inhibitor for acetylcholinesterase, during hydrolysis of acetylcholine.

應用

1-Bromopinacolone is the suitable reagent for the synthesis of a photolabile azido derivative of the kaurene oxidase inhibitor 1-(4- chlorophenyl)4,4-dimethyl-2-(1,2,4-triazol-1-yl) pentan-3-ol (paclobutrazol). It may be used as reagent in the synthesis of 2-t-butyl-6-benzoylimidazo[1,2-b]pyridazine.

象形圖

Exclamation mark

訊號詞

Warning

危險聲明

危險分類

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

標靶器官

Respiratory system

儲存類別代碼

10 - Combustible liquids

水污染物質分類(WGK)

WGK 3

閃點(°F)

167.0 °F - closed cup

閃點(°C)

75 °C - closed cup

個人防護裝備

Eyeshields, Gloves, type ABEK (EN14387) respirator filter


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The Journal of biological chemistry, 257(23), 14087-14092 (1982-12-10)
1-Bromopinacolone, BrPin, acts initially as a reversible competitive inhibitor for acetylcholinesterase, KI = 0.18 mM in hydrolysis of acetylcholine. Unlike bromoacetone, with time it acts as an irreversible covalent inhibitor. BrPin has a hydrolytic half-life of 30 h at the
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Biochimica et biophysica acta, 997(3), 167-175 (1989-08-31)
1-Bromo-2-[14C]pinacolone, (CH3)3C14COCH2Br [( 14C]BrPin), was prepared from [1-14C]acetyl chloride and tert-butylmagnesium chloride with cuprous chloride catalyst, followed by bromination. It was examined as an active-site directed label for acetylcholinesterase (acetylcholine acetylhydrolase, EC 3.1.1.7) (AcChE). AcChE, isolated from Torpedo nobiliana, has

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