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Merck
CN

29162

Sigma-Aldrich

2-氧环己烷羧酸甲酯

technical, ≥90% (GC)

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别名:
2-甲氧羰基环己酮, 环己酮-2-羧酸甲酯
经验公式(希尔记法):
C8H12O3
CAS号:
分子量:
156.18
Beilstein:
510258
EC 号:
MDL编号:
UNSPSC代码:
12352100
PubChem化学物质编号:
NACRES:
NA.22

等级

technical

质量水平

检测方案

≥90% (GC)

折射率

n20/D 1.483

bp

50 °C/0.2 mmHg (lit.)

密度

1.10 g/mL at 20 °C (lit.)

SMILES字符串

COC(=O)C1CCCCC1=O

InChI

1S/C8H12O3/c1-11-8(10)6-4-2-3-5-7(6)9/h6H,2-5H2,1H3

InChI key

JEENWEAPRWGXSG-UHFFFAOYSA-N

应用

Methyl 2-oxocyclohexanecarboxylate has been used in the synthesis of substituted tetrahydrobenzofuran derivatives via reaction with propargylic esters in the presence of palladium catalyst.

WGK

WGK 3

闪点(°F)

192.2 °F

闪点(°C)

89 °C

个人防护装备

Eyeshields, Gloves, type ABEK (EN14387) respirator filter

法规信息

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Highly diastereoselective synthesis of tetrahydrobenzofuran derivatives by palladium-catalyzed reaction of propargylic esters with substituted ?-dicarbonyl compounds.
Yoshida M, et al.
Tetrahedron, 66(14), 2675-2682 (2010)
Qinglei Meng et al.
Nature communications, 8, 14190-14190 (2017-02-01)
Cyclohexanone and its derivatives are very important chemicals, which are currently produced mainly by oxidation of cyclohexane or alkylcyclohexane, hydrogenation of phenols, and alkylation of cyclohexanone. Here we report that bromide salt-modified Pd/C in H

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