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Merck
CN

550485

3-氧代-1-环戊烷羧酸

97%

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关于此项目

经验公式(希尔记法):
C6H8O3
化学文摘社编号:
分子量:
128.13
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
MDL number:
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产品名称

3-氧代-1-环戊烷羧酸, 97%

InChI

1S/C6H8O3/c7-5-2-1-4(3-5)6(8)9/h4H,1-3H2,(H,8,9)

SMILES string

OC(=O)C1CCC(=O)C1

InChI key

RDSNBKRWKBMPOP-UHFFFAOYSA-N

assay

97%

mp

59-62 °C (lit.)

functional group

carboxylic acid
ketone

Quality Level

Application

使用细胞色素 P450 BM-3 突变体的研究生物羟基化反应的底物。
3-Oxo-1-cyclopentanecarboxylic acid may be used in the preparation of 3-hydroxycyclopentanecarboxylic acid via hydrogenation.

General description

3-Oxo-1-cyclopentanecarboxylic acid , also known as 3-oxocyclopentanecarboxylic acid, is a keto acid derivative. It undergoes Curtius rearrangement with diphenyl phosphoryl azide and triethylamine in tert-butanol to form the corresponding boc-protected 1-(3-oxo)urea derivative.

Legal Information

Product of Rieke Metals, Inc.
Rieke is a registered trademark of Rieke Metals, Inc.

存储类别

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

Eyeshields, Gloves, type N95 (US)

法规信息

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历史批次信息供参考:

分析证书(COA)

Lot/Batch Number

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Dieter F Münzer et al.
Chemical communications (Cambridge, England), (20), 2597-2599 (2005-05-19)
Substrate engineered, achiral carboxylic acid derivative was biohydroxylated with various mutants of cytochrome P450 BM-3 to give two out of the four possible diastereoisomers in high de and ee. The BM-3 mutants exhibit up to 9200 total turnovers for hydroxylation
Studies of Configuration. V. The Preparation and Configuration of cis-3-Methoxycyclopentanecarboxylic Acid.
Noyce D and Fessenden J.
The Journal of Organic Chemistry, 24(5), 715-717 (1959)
Boc-protected 1-(3-oxocycloalkyl) ureas via a one-step Curtius rearrangement: mechanism and scope.
Sun X, et al.
Tetrahedron Letters, 55(4), 842-844 (2014)

商品

Phase I biotransformation reactions increase drug compound polarity, mainly occurring in hepatic circulation.

一期生物转化反应在药物上引入或暴露官能团,目的是增加化合物的极性。尽管一期药物代谢发生在大多数组织中,但代谢的主要和首过部位发生在肝循环期间。

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