2-クロロけい皮酸

化学名:2-クロロけい皮酸

CAS番号.3752-25-8

英語名:2-Chlorocinnamic acid

CBNumberCB0278409

MFC9H7ClO2

MW182.6

别名

2-クロロけい皮酸

3-(2-クロロフェニル)プロペン酸

2-クロロ桂皮酸

2-クロロけい皮酸物理性質

融点	208-210 °C(lit.)
沸点	260.71°C (rough estimate)
比重(密度)	1.2377 (rough estimate)
屈折率	1.5426 (estimate)
貯蔵温度	Room temperature.
水溶解度	Insoluble in water
溶解性	Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
外見	powder to crystal
酸解離定数(Pka)	4.23(at 25℃)
色	White to Almost white
BRN	1365198
InChI	InChI=1S/C9H7ClO2/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6H,(H,11,12)
InChIKey	KJRRTHHNKJBVBO-AATRIKPKSA-N
SMILES	C(O)(=O)C=CC1=CC=CC=C1Cl
CAS データベース	3752-25-8(CAS DataBase Reference)
NISTの化学物質情報	2-Chlorocinnamic acid(3752-25-8)

安全性情報

危険有害性情報のコード(GHS)

外観
白色～微褐色の結晶又は結晶性粉末
溶解性
エタノール、エーテルに易溶:熱ベンゼンに難溶:石油エーテル、熱水にほとんど不溶。
用途
有機合成原料。
化学的特性
white to light yellow crystal powder. Insoluble in water, soluble in ethanol, ethyl acetate and other organic solvents.
使用
2-Chlorocinnamic acid is a kind of trans-cinnamate. It is used in organic synthesis.
生物学の機能
2-Chlorocinnamic acid is a cinnamic acid derivative that inhibits the hydroxylation of phenylpropanoids. It has been shown to inhibit the activity of cinnamic acid derivatives and their hydroxylation in cell lines, which is linked to the inhibition of cellulose acetate synthesis. 2-Chlorocinnamic acid also has an inhibitory effect on the chloride ion and water molecule. The chloride ion may be needed for the formation of hydrochloric acid, which is necessary for cellulose acetate hydrolysis, while water molecules are involved in many biochemical reactions. 2-Chlorocinnamic acid affects human cell lines at temperatures between 10°C and 37°C and at regiospecific sites. This oxidative dehalogenation reaction catalyzed by R. rubra was found to be regiospecific for 2-chlorocinnamic acid; the chloride ion was probably removed after the ring fission reaction.
合成
O-chlorocinnamic acid is prepared by reacting o-phthalaldehyde with malonic acid.

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