Diethyl cyanomethylphosphonate
Diethyl cyanomethylphosphonate
CAS: 2537-48-6
Molecular Formula: C6H12NO3P
Diethyl cyanomethylphosphonate - Names and Identifiers
| Name | Diethyl cyanomethylphosphonate |
| Synonyms | LABOTEST-BB LT00233137 Diethylphosphonoacetonitrile (Diethylphosphono)acetonitrile Diethyl cyanomethylphosphonate Diethyl cyanomethanephosphonate 2-(Diethylphosphonyl)acetonitrile (Cyanomethyl)diethoxyphosphine oxide Cyanomethyl phosphonic acid diethyl ester Phosphonic acid, (cyanomethyl)-, diethyl ester Cyanomethylphosphonic acid diethyl ester~Diethyl phosphonoacetonitrile |
| CAS | 2537-48-6 |
| EINECS | 219-806-0 |
| InChI | InChI=1/C6H12NO3P/c1-3-9-11(8,6-5-7)10-4-2/h3-4,6H2,1-2H3 |
| InChIKey | KWMBADTWRIGGGG-UHFFFAOYSA-N |
Diethyl cyanomethylphosphonate - Physico-chemical Properties
| Molecular Formula | C6H12NO3P |
| Molar Mass | 177.14 |
| Density | 1.095g/mLat 25°C(lit.) |
| Boling Point | 101-102°C0.4mm Hg(lit.) |
| Flash Point | >230°F |
| Water Solubility | Miscible with water, chloroform, terahydrofuran, ethyl acetate and methylene chloride. |
| Solubility | Chloroform (Soluble), Methanol (Slightly) |
| Vapor Presure | 0.000831mmHg at 25°C |
| Appearance | Liquid |
| Specific Gravity | 1.1261.095 |
| Color | Clear colorless to light yellow |
| BRN | 1772981 |
| Storage Condition | Inert atmosphere,2-8°C |
| Refractive Index | n20/D 1.434(lit.) |
Diethyl cyanomethylphosphonate - Risk and Safety
| Risk Codes | R38 - Irritating to the skin R36/37/38 - Irritating to eyes, respiratory system and skin. R20/21/22 - Harmful by inhalation, in contact with skin and if swallowed. R34 - Causes burns R36/38 - Irritating to eyes and skin. |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S28 - After contact with skin, wash immediately with plenty of soap-suds. S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. S23 - Do not breathe vapour. S45 - In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) S27 - Take off immediately all contaminated clothing. S36/37 - Wear suitable protective clothing and gloves. S9 - Keep container in a well-ventilated place. |
| UN IDs | UN 1760 8/PG 2 |
| WGK Germany | 3 |
| HS Code | 29310095 |
| Hazard Note | Irritant |
| Hazard Class | 6.1 |
| Packing Group | III |
Diethyl cyanomethylphosphonate - Reference Information
| NIST chemical information | Information provided by: webbook.nist.gov (external link) |
| introduction | diethyl cyanomethylphosphate is a colorless and transparent liquid with a density of 1.095, a boiling point of 101-102 ℃, and a refractive index of 1.4312-1.4332. it is used to prepare 2-aminoquinoline. 2-Aminoquinoline can be used to prevent or treat depression, anxiety disorders, schizophrenia, panic disorder, agoraphobia, social terror, obsessive-compulsive disorder, post-traumatic stress disorder, pain, memory impairment, dementia, eating behavior Disorders, sexual dysfunction, sleep disorders, drug abuse, movement disorders such as Parkinson's disease, psychiatric disorders or gastrointestinal disorders. |
| synthesis method | step 1. adding chloroacetic acid into ethanol, adding concentrated sulfuric acid under stirring, heating and refluxing, stopping stirring, reacting for 8 hours, filtering and washing, and removing the water layer to obtain ethyl chloroacetate; Add ethyl chloroacetate to ammonia water at 0 ℃, stir for 15min after adding, cool, stand, filter, and dry to obtain chloroacetamide; Then, add phosphorus pentoxide to chloroacetamide, heat and dehydrate, steam out chloroacetonitrile while heating, and finally distill under reduced pressure to evaporate all chloroacetonitrile; The crude product is dried with phosphorus pentoxide and magnesium oxide, and the finished chloroacetonitrile is obtained by fractionation under reduced pressure. Step 2.: Transfer the product chloroacetonitrile of step 1 to a synthesis reaction kettle, add the catalyst tetrabutylammonium iodide, heat to 80 ℃, and then drop triethyl phosphite, and control the dropping acceleration according to the reflux of the reaction, Control the internal temperature at 80 ℃, control the dropping time at 8 hours, and then control the internal temperature at 110 ℃ for 8 hours to keep the temperature for 8 hours. The reaction by-product chloroethane is recovered by cryogenic compression technology to obtain crude products. Step 3. transfer the crude product to a high-purity distillation tower for purification. According to the different boiling points of the materials, triethyl phosphite (applied) and diethyl cyanomethyl phosphate are respectively distilled. Distillation kettle residue into a special reactor after alkali treatment as phosphorus and potassium fertilizer for sale. |
Last Update：2024-04-10 22:29:15
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View History
Diethyl cyanomethylphosphonate
BOC-L-2-AMINO-5-METHYLHEX-4-ENOIC ACID
OLEAMIDE MIPA
5-氯-4-甲酰基噻吩-2-羧酸乙酯
5-甲氧基-2-甲基-4-硝基苯甲酸
4-(N-马来酰亚胺甲基)环己烷-1-羧酸磺酸基琥珀酰亚胺酯钠盐
2-((二甲基氨基)甲基)-4-乙基苯酚
2-(二乙胺基)乙基](丙基)胺
NISOBUTYLNNITRONNITROSOGUANIDINE
3-(三甲基硅烷)苯硼酸 (含不定量的酸酐)
BOC-L-2-AMINO-5-METHYLHEX-4-ENOIC ACID
OLEAMIDE MIPA
5-氯-4-甲酰基噻吩-2-羧酸乙酯
5-甲氧基-2-甲基-4-硝基苯甲酸
4-(N-马来酰亚胺甲基)环己烷-1-羧酸磺酸基琥珀酰亚胺酯钠盐
2-((二甲基氨基)甲基)-4-乙基苯酚
2-(二乙胺基)乙基](丙基)胺
NISOBUTYLNNITRONNITROSOGUANIDINE
3-(三甲基硅烷)苯硼酸 (含不定量的酸酐)