香豆素-3-羧酸

香豆素-3-羧酸用途

Coumarin-3-carboxylic acid (2- Oxochromene-3-carboxylic acid) 是合成香豆素的重要起始化合物,香豆素是一种具有多种生物活性的天然产物。Coumarin-3-carboxylic acid 的镧系复合物对 K-562 细胞具有抗增殖活性。

香豆素-3-羧酸名称

[ CAS 号 ]:
531-81-7

[ 中文名 ]:
香豆素-3-羧酸

[ 英文名 ]:
Coumarin-3-carboxylic acid

[中文别名 ]:

[英文别名 ]:

EINECS 208-518-0
2-oxochromene-3-carboxylic acid
Coumarin-3-Carboxylic Acid
MFCD00006852

香豆素-3-羧酸生物活性

[ 描述 ]:

[ 相关类别 ]:

研究领域 >> 癌症

信号通路 >> 其他 >> 其他

[参考文献]

[1]. Aimin Song, et al. A convenient synthesis of coumarin-3-carboxylic acids via Knoevenagel condensation of Meldrum's acid with ortho-hydroxyaryl aldehydes or ketones. Tetrahedron Letters. 2003 Feb;44(9): 1755-1758.

[2]. Kostova I, et al. New Samarium(III), Gadolinium(III), and Dysprosium(III) Complexes of Coumarin-3-Carboxylic Acid as Antiproliferative Agents. Met Based Drugs. 2007;2007:15925.

香豆素-3-羧酸物理化学性质

[ 密度 ]:
1.493g/cm3

[ 沸点 ]:
388.6ºC at 760mmHg

[ 熔点 ]:
189-192 °C(lit.)

[ 分子式 ]:
C₁₀H₆O₄

[ 分子量 ]:
190.15200

[ 闪点 ]:
162.7ºC

[ 精确质量 ]:
190.02700

[ PSA ]:
67.51000

[ LogP ]:
1.49120

[ 外观性状 ]:
固体;White to Light yellow powder to crystal

[ 储存条件 ]:
避免光

[ 水溶解性 ]:
13 g/L (37 ºC)

香豆素-3-羧酸MSDS

详细MSDS(安全技术说明书)

香豆素-3-羧酸毒性和生态

CHEMICAL IDENTIFICATION

RTECS NUMBER :: DJ2490000

CHEMICAL NAME :: 2H-1-Benzopyran-3-carboxylic acid, 2-oxo-

CAS REGISTRY NUMBER :: 531-81-7

BEILSTEIN REFERENCE NO. :: 0154276

LAST UPDATED :: 199709

DATA ITEMS CITED :: 2

MOLECULAR FORMULA :: C10-H6-O4

MOLECULAR WEIGHT :: 190.16

WISWESSER LINE NOTATION :: T66 BOVJ DVQ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 200 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 90,260,1947

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 180 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#02594

香豆素-3-羧酸安全信息

[ 危害码 (欧洲) ]:
T:Toxic;

[ 风险声明 (欧洲) ]:
R25

[ 安全声明 (欧洲) ]:
S36/37/39-S45-S28A

[ 危险品运输编码 ]:
UN 2811 6.1/PG 3

[ WGK德国 ]:
3

[ RTECS号 ]:
DJ2490000

[ 包装等级 ]:
II

[ 危险类别 ]:
6.1

[ 海关编码 ]:
2932209090

香豆素-3-羧酸合成路线

详细合成路线

香豆素-3-羧酸海关

[ 海关编码 ]: 2932209090

[ 中文概述 ]:
2932209090. 其他内酯. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%

[ 申报要素 ]: 品名, 成分含量, 用途

[ Summary ]:
2932209090. other lactones. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%