1072-67-9
3-Amino-5-methylisoxazole
CAS: 1072-67-9
Molecular Formula: C4H6N2O
1072-67-9 - Names and Identifiers
| Name | 3-Amino-5-methylisoxazole |
| Synonyms | 5-ethylisoxazol-3-aMine 5-methyl-3-isoxazolamin 5-Methyl-3-isoxazolamine 3-Methyl-5-aminoisoxazole 3-Isoxazolamine,5-methyl- 5-Methyl-3-aminoisoxazole 3-Amino-5-methylisoxazole 3-Isoxazolamine, 5-methyl- 3-amino-5-methyl-isoxazole 5-Methyl-1,2-oxazol-3-amine 5-Methylisoxazol-3-amine, 5-Methyl-1,2-oxazol-3-amine |
| CAS | 1072-67-9 |
| EINECS | 214-013-6 |
| InChI | InChI=1/C4H6N2O/c1-3-2-4(5)6-7-3/h2H,1H3,(H2,5,6) |
| InChIKey | FKPXGNGUVSHWQQ-UHFFFAOYSA-N |
1072-67-9 - Physico-chemical Properties
| Molecular Formula | C4H6N2O |
| Molar Mass | 98.1 |
| Density | 1.1890 (rough estimate) |
| Melting Point | 59-61°C(lit.) |
| Boling Point | 183.6°C (rough estimate) |
| Flash Point | 96.5°C |
| Water Solubility | soluble |
| Solubility | soluble |
| Vapor Presure | 0.0487mmHg at 25°C |
| Appearance | Solid |
| Color | Off-White to Brown |
| BRN | 108110 |
| pKa | 2.40±0.10(Predicted) |
| PH | 6.0-7.5 (10g/l, H2O, 20℃) |
| Storage Condition | 2-8°C |
| Refractive Index | 1.4327 (estimate) |
| Physical and Chemical Properties | White crystal. Melting point 51.5 ℃, boiling point 235 ℃. Soluble in alcohol and ether and volatilize with water vapor. |
1072-67-9 - Risk and Safety
| Hazard Symbols | Xi - Irritant F,Xi,F,Xn - |
| Risk Codes | R5 - Heating may cause an explosion R36/37/38 - Irritating to eyes, respiratory system and skin. R11 - Highly Flammable R36/37/38/5 - R20/21/22 - Harmful by inhalation, in contact with skin and if swallowed. |
| Safety Description | S22 - Do not breathe dust. S24/25 - Avoid contact with skin and eyes. S47 - Keep at temperature not exceeding... S37/39 - Wear suitable gloves and eye/face protection S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S16 - Keep away from sources of ignition. S26/37/39/47 - S36 - Wear suitable protective clothing. |
| WGK Germany | 3 |
| FLUKA BRAND F CODES | 4.6 |
| HS Code | 29349990 |
| Hazard Note | Irritant |
1072-67-9 - Reference Information
| 3-amino-5methylisoxazole | 3-amino-5methylisoxazole is an intermediate for the production of broad-spectrum antibiotic sulfamethoxazole, white crystal. Melting point 51.5 ℃, boiling point 235 ℃. Soluble in alcohol and ether and volatilize with water vapor. Pharmaceutical intermediates. It is used in the production of sulfa drugs, especially the anti-infective drug sulfamethoxazole. Sin, a broad-spectrum antibiotic, belongs to the first-class antibacterial class, white crystalline powder; odorless, slightly bitter taste; almost insoluble in water, easily soluble in dilute hydrochloric acid, sodium hydroxide solution or ammonia solution; melting point: 168 ℃-172 ℃. It is used for urinary tract infection, respiratory tract infection, skin purulent infection, tonsillitis; it is forbidden for patients with sulfonamide allergy and severe liver and kidney patients. The antibacterial spectrum is similar to SD, but the antibacterial effect is strong. The solubility of acetylates, the metabolites of sulfa drugs in the body, is low, and it is easy to precipitate crystals in the urethra to cause crystalline urine, hematuria and urine closure. It should be taken with sodium bicarbonate when used in large doses. When combined with synergist, its antibacterial efficacy is significantly enhanced, which can be increased several times to dozens of times. Clinically used for tonsillitis, acute bronchitis, lung infection, urinary tract infection, skin purulent infection, bacillary dysentery and typhoid fever. |
| chemical properties | white crystal. Melting point 51.5 ℃, boiling point 235 ℃. Soluble in alcohol and ether and volatilize with water vapor. |
| use | pharmaceutical intermediates. Used in the production of sulfa drugs. |
| production method | obtained by degradation of 5-methylisoxazol-3-formamide. First, the quantitative chlorine is introduced into 1.02 times sodium hydroxide solution below 23 ℃ to obtain sodium hypochlorite solution. 5-methyl isoxazol-3-formamide was added to sodium hypochlorite at 20-25°C and reacted for 2h. The reaction solution uses sodium hydroxide solution to adjust the alkali concentration to 5.6%, and then passes through a pipeline with an internal pressure of about 0.75MPa at 176 ℃ at a flow rate of 1.5L/min. The effluent is extracted with chloroform, the extract is combined, the chloroform is recovered, and the residue is cooled to obtain 3-amino-5-methylisoxazole. |
| NIST chemical information | The information is: webbook.nist.gov provides (external link) |
| EPA chemical information | The information is: offered by ofmpub.epa.gov (external link) |
Last Update：2024-04-10 22:41:30
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