Chemical Products 4-Hydroxycoumarin Basic Attributes

Chemical Products 4-Hydroxycoumarin Description
Yellow powder or chunksChEBI: A hydroxycoumarin that is coumarin in which the hydrogen at position 4 is replaced by a hydroxy group.

Chemical Products 4-Hydroxycoumarin Basic Attributes
CAS No：1076-38-6

Molecular Formula ：C9H6O3

Molecular Mass ：162.14

Exact Mass ：162.031693

PSA ：46.5 A^2

LogP ：1.3

EINECS ：214-060-2

InChIKeys ：VXIXUWQIVKSKSA-UHFFFAOYSA-N

H-bond Acceptor ：3

H-bond Donor ：1

SP3 ：0.00

RBN ：0

Chemical Products 4-Hydroxycoumarin Characteristics
Appearance ：Clear colorless to slightly yellow Liquid

Density ：1.1734 (rough estimate)

Melting Point ：211-213 °C(lit.)

Bolling Point ：228.82°C (rough estimate)

Flash Point ：165.4±20.7 °C

Refractive Index ：1.4500 (estimate)

Solubility ：PRACTICALLY INSOLUBLE

Storage Condition ：Store below +30°C.

BRN ：129768

Chemical Products 4-Hydroxycoumarin Safety Information
HS Code ：29322980

UN No. ：NONH for all modes of transport

WGK_Germany ：3

Risk Code ：22-36/37/38

Safety Instructions ：26-36

RTECS No. ：DJ3100000

Dangerous Mark ：Xn,Xi

P Code ：P261-P305 + P351 + P338

Hazard Statements ：H302-H315-H319-H335

Hazard Note ：Irritant

Chemical Products 4-Hydroxycoumarin Product Usage
4-Hydroxy Coumarin is a plant derived antioxidant, protecting against lipid peroxidation, as well as a potential inhibitor of HIV-1 Integrase.

Chemical Products 4-Hydroxycoumarin Production Methods
STR39 Method C--Option 1 (Method 'C-1') A mixture of malonic acid monophenyl ester (10) (1 mmol) and Eaton’s reagent (4 ml) was refluxed at 70°C for 2 h. Ice-cold waterwas then added to this mixture with continuous stirring. The precipitateswere filtered with suction, washed with water, dried and recrystallized from ethanol to afford 4-hydroxy coumarin (11).Yield and mp: 63percent, 217–18 C.42A mixture of phenol (19.8 g, 0.21 mol), anhydrous ZnCl2 (84.8 g, 0.62 mol), POC13 (97 g, 0.63 mol), and malonic acid (22 g, 0.21 mol) was heated at 60-65 °C for 40 h, then the mixture was cooled. After the mixture was decomposed with water, the solid was filtered. The solid was dissolved with 10percent aqueous Na2CO3, then acidified with diluted hydrochloric acid. The crystal was filtered to give the product 2a. 4-Hydroxycoumarin (2a) Yellow solid; yield 41percent, mp 211-213 °C. 1H NMR (300 MHz, DMSO) δ 12.57 (s, 1H, OH), 7.84 (d, J = 7.7 Hz, 1H, coumarin-5-H), 7.67 (dd, J = 11.4, 4.1 Hz, 1H, coumarin-7-H), 7.39-7.29 (m, 2H, coumarin-6, 8-H), 5.62 (s, 1H, coumarin-3-H).Test tube in a nitrogen atmosphere under a tetrahydrofuran (2 mL) and the solvent in the acetylacetonate screen third iron {Fe (acac) 3 5.30 mg, 0.015 mmol} existing under 4-sulfamate coumarin (134.64 mg, 0.5 mmol) and DMPU (576 mg, 9eq) and 1,3-dimethyl -3,4,5,6-tetrahydro -2 (1H) - pyrimidyl dinon (576.76 mg, 4.5 mmol) and then mixed at 0 normal- It was added butyl magnesium chloride (116.87 mg, 1.0 mmol) slowly to give. If after 10 minutes the starting material is exhausted, then terminate the reaction with 1N HCl and extracted with diethyl ether, and after removing the solvent was separated by column chromatography to give the title compound, 4-butyl-coumarin (70percent).

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