2-n-Propylpentanoicacid
Valproic acid
CAS: 99-66-1
Molecular Formula: C8H16O2
2-n-Propylpentanoicacid - Names and Identifiers
| Name | Valproic acid |
| Synonyms | depakote 2 PP (base) Valproic acid (n-C3H7)2CHCOOH dipropyl-aceticaci Dipropylacetic acid 2-Propylpentansαure Di-n-propylessigsaure 2-n-Propylvalericacid 2-Propylpentanoic acid 2-propylpentanoic acid 2-n-Propylpentanoicacid 1-[4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone |
| CAS | 99-66-1 |
| EINECS | 202-777-3 |
| InChI | InChI=1/C26H28Cl2N4O4.C8H16O2/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28;1-3-5-7(6-4-2)8(9)10/h2-9,14,18,23H,10-13,15-17H2,1H3;7H,3-6H2,1-2H3,(H,9,10)/t23-,26-;/m0./s1 |
2-n-Propylpentanoicacid - Physico-chemical Properties
| Molecular Formula | C8H16O2 |
| Molar Mass | 144.21 |
| Density | 0.9 g/mL at 25 °C (lit.) |
| Melting Point | -21.25°C (estimate) |
| Boling Point | 220 °C (lit.) |
| Flash Point | 232°F |
| Water Solubility | slightly soluble |
| Solubility | H2O: slightly soluble |
| Vapor Presure | 0.01 hPa (20 °C) |
| Appearance | Colorless liquid |
| Color | Clear colorless to pale yellow |
| Merck | 14,9913 |
| BRN | 1750447 |
| pKa | 4.6(at 25℃) |
| Storage Condition | Store below +30°C. |
| Explosive Limit | 1%(V) |
| Refractive Index | n20/D 1.425(lit.) |
| MDL | MFCD00002672 |
| Physical and Chemical Properties | Density: 0.92 Boiling Point: 220°C refractive index: 1.424-1.426 flash point: 111°C water-soluble clear solution |
| Use | Used as a pharmaceutical Intermediate |
2-n-Propylpentanoicacid - Risk and Safety
| Risk Codes | R22 - Harmful if swallowed R36/37/38 - Irritating to eyes, respiratory system and skin. R39/23/24/25 - R23/24/25 - Toxic by inhalation, in contact with skin and if swallowed. R11 - Highly Flammable R34 - Causes burns R61 - May cause harm to the unborn child |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S45 - In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) S36/37 - Wear suitable protective clothing and gloves. S16 - Keep away from sources of ignition. S7 - Keep container tightly closed. S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. S53 - Avoid exposure - obtain special instructions before use. |
| UN IDs | UN 1230 3/PG 2 |
| WGK Germany | 3 |
| RTECS | YV7875000 |
| HS Code | 29159080 |
| Hazard Class | 8 |
| Packing Group | III |
| Toxicity | LD50 orally in rats: 670 mg/kg (Jenner) |
2-n-Propylpentanoicacid - Reference Information
| olfactory Threshold | 0.0033ppm |
| LogP | 1.59 at 22.1℃ and pH5 |
| NIST chemical information | information provided by: webbook.nist.gov (external link) |
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| Anti-epileptic drugs | valproic acid (VPA) is a broad-spectrum anti-epileptic drug, it has a good effect on various types of epilepsy and concurrent epileptic seizures. There are large individual differences in the metabolism of valproic acid, which has a narrow therapeutic window and interacts with a variety of drugs, the effective plasma concentration range was 50-100 μg/mL. valproic acid was synthesized in the laboratory as early as 1882 in France by Professor berverbton. Valproic acid is a colorless liquid at room temperature, and because pharmacological studies have shown that this compound has no pharmacological effect, valproic acid has always been a common solvent in the laboratory, if the drug is insoluble in water, valproic acid is used instead of the solvent to dissolve the drug. valproic acid has been unknown and is mainly used as an organic solvent. However, a pharmaceutical company changed the life of valproic acid. In 1962, the French pharmaceutical company La Laboratoire Berthier wanted to work with Professor George Carraz of the French University of Grenoble to test whether a series of compounds have sedative and hypnotic effects in rats, but serendipitously found that valproic acid has "antiepileptic ability". Therefore, the laboratory began to produce valproic acid, and put into animal experiments, and further carry out the clinical research of valproic acid in the treatment of epilepsy. After experiencing the re-emergence of the brain, valproic acid has been used in the clinical treatment of epilepsy since 1967. With the advancement of scientific research, valproic acid drugs, such as sodium valproate and magnesium valproate, which have better curative effect and fewer adverse reactions, have been developed one after another. |
| Clinical application | valproic acid can be used to treat various types of seizures, and is a broad-spectrum anti-epileptic drug. generalized epilepsy: including absence seizures, myoclonic seizures, tonic-clonic seizures, atonic seizures and mixed seizures, special type syndrome (West,Lennox-Gastaut syndrome), etc. partial epilepsy: including partial seizures, with or without generalized seizures. In addition to its antiepileptic effect, valproic acid is also used to treat manic episodes associated with bipolar disorder. This is one of the reasons why clinical use is more widespread. |
| adverse reactions | 1. Dose-related adverse reactions The occurrence of these adverse reactions is closely related to the dose. Therefore, in order to reduce such adverse reactions, the dose can be slowly increased from a small dose, and the maximum therapeutic dose recommended by the instructions should not be exceeded as much as possible. The main common gastrointestinal reactions were Nausea, Vomit, loss of appetite, upper abdominal pain, Diarrhea and so on, which mostly occurred at the beginning of treatment and usually disappeared after continuing medication for several days. In addition, the common tremor, drowsiness and other nervous system reactions. 2. Adverse reactions of long-term treatment these adverse reactions are related to the long-term cumulative dose of drugs. Common weight gain, hair loss, menstrual disorders or amenorrhea, polycystic ovary syndrome. 3, specific adverse reactions mainly thrombocytopenia, liver toxicity (abnormal liver function is especially common in children under 2 years old). In addition, acute pancreatitis and valproic acid encephalopathy are rare (refers to valproic acid treatment, some patients with stiffness or drowsiness, sometimes resulting in transient Coma). these adverse reactions generally occur in the first few weeks of treatment, regardless of the dose. It is generally mild and can be rapidly relieved after drug withdrawal. Some serious adverse reactions should be immediately discontinued, timely medical treatment. 4, teratogenic for pregnant women, whether drugs affect the fetus is the primary concern. The U. S. Food and Drug Administration (FDA) has rated the pregnancy safety of valproic acid as Class D. studies have shown that valproic acid can enter the fetus through the placental barrier, which may cause fetal neural tube defects and neonatal hemorrhage. Moreover, the teratogenic risk is significantly increased when used in large doses or treated with other antiepileptic drugs. Therefore, taking valproic acid in patients with epilepsy before pregnancy should be Counseling epilepsy specialist or pharmacist, select the smaller impact on the fetus of antiepileptic drugs. |
| drug interaction | 1. It is a liver enzyme inhibitor, and lamotrigine when combined with the most obvious, should be appropriate to reduce the dose of lamotrigine. Why said this pair alone, one is the two for the Gold Partner, together with the use of more; Second, the impact is relatively large. 2. Carbapenem antibiotics (imipenem, meropenem, etc.) can significantly reduce the concentration of valproic acid. The pro-test is effective, and the blood drug concentration is really a large drop, directly from 40~50 ml/L, down to 4~5 mg/L level. Due to the wide use of valproic acid, many elderly patients in the Department of Neurology are eating valproic acid, but they are also prone to various infections such as Pneumonia. In severe cases, carbapenem antibiotics are sometimes important, at this time must pay attention to grasp the use of both. |
| withdrawal of valproic acid | as with other antiepileptic drugs, abrupt withdrawal of valproic acid may cause seizures. Usually, patients with epilepsy if sustained seizure-free for more than 2 years, that is, there is the possibility of drug withdrawal. However, whether to reduce the stop, how to reduce the stop, but also need to epilepsy specialist according to the patient's comprehensive assessment. |
| Use | This product is salified with sodium hydroxide solution to obtain sodium valproate, a broad-spectrum antiepileptic drug, also known as antiepileptic spirit. used as pharmaceutical intermediates |
| production method | is derived from the decarboxylation of dipropylmalonic acid by elimination. Dipropylmalonic acid was placed into a reaction Pan and heated to 180 ° C., and the reactant was gradually melted, and a large amount of carbon dioxide gas was evolved. After completion of the elimination reaction, distillation was performed under reduced pressure to collect a 12-114 ° C. (0.93-1.06kPa) fraction, I .e., 2-propylpentanoic acid, in a yield of 86%. |
| category | flammable liquid |
| toxicity grade | poisoning |
| Acute toxicity | oral-rat LD50: 670 mg/kg; Oral-mouse LD50: 470 mg/kg |
| flammability hazard characteristics | in case of open flame, high temperature, flammable oxidant; Combustion stimulus smoke |
| storage and transportation characteristics | The warehouse is ventilated and dried at low temperature; It is stored separately from the oxidant |
| extinguishing agent | dry powder, dry sand, carbon dioxide, foam, 1211 extinguishing agent |
| toxic substance data | information provided by: pubchem.ncbi.nlm.nih.gov (external link) |
Last Update：2024-04-09 02:00:11
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