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Merck
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重要文件

361976

Sigma-Aldrich

1-溴环己烷羧酸甲酯

97%

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About This Item

線性公式:
BrC6H10CO2CH3
CAS號碼:
分子量::
221.09
MDL號碼:
分類程式碼代碼:
12352100
PubChem物質ID:
NACRES:
NA.22
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化驗

97%

形狀

liquid

折射率

n20/D 1.493 (lit.)

bp

115-116 °C/19 mmHg (lit.)

密度

1.39 g/mL at 25 °C (lit.)

官能基

bromo
ester

SMILES 字串

COC(=O)C1(Br)CCCCC1

InChI

1S/C8H13BrO2/c1-11-7(10)8(9)5-3-2-4-6-8/h2-6H2,1H3

InChI 密鑰

RNWRVPVPLQMTAP-UHFFFAOYSA-N

一般說明

Methyl 1-bromocyclohexanecarboxylate reacts with zinc and substituted chalcones to yield the corresponding spiro-3,4-dihydropyran-2-one derivatives, 3-aryl-5-aryl-2-oxaspiro[5.5]undec-3-en-1-ones.[1] Reformatsky reaction of methyl 1-bromocyclohexanecarboxylate with 2-aryl-2-oxoacetaldehyde is reported.[2] Methyl 1-bromocyclohexanecarboxylate reacts with zinc and amides or methylamides of 3-aryl-2-cyanopropenoic acids to yield 5-aryl-1,3-dioxo-2-azaspiro[5.5]undecane-4-carbonitriles or 5-aryl-2-methyl-1,3-dioxo-2-azaspiro[5.5]undecane-4-carbonitriles.[3]

應用

Methyl 1-bromocyclohexanecarboxylate may be used in the improved method of preparation of methyl 3-oxo-1-cyclohexene-1-carboxylate.[4] It may be used in the Reformatsky synthesis of 16-aryl-15-oxadispiro[5.1.5.3]hexadecane-7,14-diones.[5]

象形圖

CorrosionExclamation mark

訊號詞

Danger

危險聲明

危險分類

Eye Dam. 1 - Skin Corr. 1B - STOT SE 3

標靶器官

Respiratory system

儲存類別代碼

8A - Combustible corrosive hazardous materials

水污染物質分類(WGK)

WGK 3

閃點(°F)

222.8 °F - closed cup

閃點(°C)

106 °C - closed cup

個人防護裝備

Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter


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Kirillov NF, et al.
Russ. J. Org. Chem., 40(7), 953-956 (2004)
Reformatsky Synthesis of 16-Aryl-15-oxadispiro [5.1. 5.3] hexadecane-7, 14-diones.
Kirillov NF and Shchepin VV.
Russ. J. Org. Chem., 37(9), 1223-1224 (2001)
Improved preparation of methyl 3-oxo-1-cyclohexene-1-carboxylate and its use in the synthesis of substituted 1, 5-cyclodecadienes.
Lange GL and Otulakowski JA.
The Journal of Organic Chemistry, 47(26), 5093-5096 (1982)
Reaction of Reformatsky reagent prepared from methyl 1-bromocyclohexanecarboxylate and zinc with substituted chalcones.
Kirillov NF and Gavrilov AG.
Russ. J. Org. Chem., 44(7), 963-964 (2008)
Reaction of methyl 1-bromocyclohexanecarboxylate with zinc and 3-aryl-2-cyanopropenoic acids amides.
Kirillov NF, et al.
Russ. J. Gen. Chem., 82(7), 1228-1232 (2012)

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