Chemical Products Leflunomide Safety Information

Chemical Products Leflunomide Description
Leflunomide is a pyrimidine synthesis inhibitor, inhibiting dihydroorotate dehydrogenase, and acts as a disease-modifying antirheumatic drug.

Chemical Products Leflunomide Basic Attributes
CAS No：75706-12-6

Molecular Formula ：C12H9F3N2O2

Molecular Mass ：270.21

Exact Mass ：270.061615

PSA ：55.1 A^2

LogP ：2.5

EINECS ：1308068-626-2

InChIKeys ：VHOGYURTWQBHIL-UHFFFAOYSA-N

H-bond Acceptor ：6

H-bond Donor ：1

SP3 ：0.17

RBN ：2

Chemical Products Leflunomide Characteristics
Density ：1.4±0.1 g/cm3

Melting Point ：163-168°C

Bolling Point ：289.3°C at 760 mmHg

Flash Point ：128.8±27.3 °C

Refractive Index ：1.541

Solubility ：8.44e-02 g/L

Storage Condition ：2-8°C

Vapor Pressure ：1.25X10-6 mm Hg at 25 deg C /Estimated/

Chemical Products Leflunomide Safety Information
Hazard Class ：6.1

HS Code ：2934999090

UN No. ：UN 2811 6.1/PG 3

WGK_Germany ：3

Risk Code ：22-36/37/38

Safety Instructions ：26-36

RTECS No. ：NY2354200

Dangerous Mark ：Xn,Xi

P Code ：P280-P301 + P310 + P330-P305 + P351 + P338-P337 + P313

Hazard Statements ：H301-H315-H319-H335

Chemical Products Leflunomide Product Usage
anti-Altzheimer therapeutic.Hydrogenated orotate dehydrogenase inhibitor, which has immunosuppressive and anti-inflammatory effects. It is used to treat active rheumatoid arthritis in adults. Anti-inflammatory analgesics. Non-steroidal anti-inflammatory drugs. Anti-rheumatoid arthritis drug

Chemical Products Leflunomide Production Methods
Ethyl acetoacetate, triethyl orthoformate and acetic anhydride are refluxed together until the raw materials are completely reacted, about 5 hours. The fractions of 140 150°C/1.87 kPa were collected by distillation to obtain compound (I) with a yield of 85%. Compound (I) was dissolved in absolute ethanol, and a mixed solution of hydroxylamine hydrochloride, sodium acetate and water was added dropwise at 10-15°C for 1 hour. After the drop, the reaction takes about 8h. Add concentrated hydrochloric acid and glacial acetic acid and reflux for 5h. It was concentrated to 1/2 volume under reduced pressure, cooled to below 10°C, filtered, and recrystallized from ethanol-water to obtain compound (II) as a white crystalline powder with a melting point of 145-146.5°C and a yield of 80%. Compound (II) was dissolved in toluene, sulfoxide chloride was added dropwise at 50-55°C, and refluxed for 3h. Concentrate and fractionate, and collect the fraction at 78-79°C/1.87kPa to obtain compound (III) with a yield of 75%. P-trifluoromethylaniline and triethylamine are dissolved in dichloromethane, and compound (III) is added dropwise at 0-5°C. Then react at 25--30℃ for 3h. Add water, separate the organic layer, wash with water, wash with saturated saline, and dry. Concentrate to 1/3 volume under reduced pressure, add petroleum ether, cool, filter, recrystallize from ethyl acetate to obtain leflunomide as white crystalline powder, melting point 166～167℃, yield 81%.

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