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550485

3-氧代-1-环戊烷羧酸

Name: 3-氧代-1-环戊烷羧酸
Brand: ALDRICH

97%

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About This Item

经验公式（希尔记法）:

C₆H₈O₃

CAS号:

98-78-2

分子量:

128.13

MDL號碼:

MFCD01320173

分類程式碼代碼:

12352100

PubChem物質ID:

24879119

NACRES:

NA.22

化驗

97%

mp

59-62 °C (lit.)

SMILES 字串

OC(=O)C1CCC(=O)C1

InChI

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

InChI 密鑰

RDSNBKRWKBMPOP-UHFFFAOYSA-N

一般說明

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.

應用

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.

法律資訊

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

儲存類別代碼

11 - Combustible Solids

水污染物質分類（WGK）

WGK 3

閃點（°F）

Not applicable

閃點（°C）

Not applicable

個人防護裝備

Eyeshields, Gloves, type N95 (US)

分析证书(COA)

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Stereoselective hydroxylation of an achiral cyclopentanecarboxylic acid derivative using engineered P450s BM-3.

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 Drug Metabolism

Phase I biotransformation reactions introduce or expose functional groups on the drug with the goal of increasing the polarity of the compound. Although Phase I drug metabolism occurs in most tissues, the primary and first pass site of metabolism occurs during hepatic circulation.