1-(2H-1,3-Benzodioxol-5-yl)-2-(methylamino)-butan-1-one hydrochloride
2-Methylamino-1-(3',4'-methylenedioxyphenyl)butan-1-one hydrochloride
CAS: 17762-90-2
Molecular Formula: C12H15NO3.ClH
1-(2H-1,3-Benzodioxol-5-yl)-2-(methylamino)-butan-1-one hydrochloride - Names and Identifiers
| Name | 2-Methylamino-1-(3',4'-methylenedioxyphenyl)butan-1-one hydrochloride |
| Synonyms | Bk-MBDB Butylone Butylone HCl Butylone (hydrochloride) 2-methylamino-1-(3,4-methylenedioxyphenyl)butan-1-one 1-(1,3-Benzodioxol-5-yl)-2-methylamino-1-butanone hydrochloride 1-(1,3-benzodioxol-5-yl)-2-(methylamino)butan-1-one hydrochloride 1-(1,3-Benzodioxol-5-yl)-2-(methylamino)butan-1-one hydrochloride 2-(Methylamino)-3',4'-(methylenedioxy)-butyrophenonehydrochloride 2-Methylamino-1-(3',4'-methylenedioxyphenyl)butan-1-one hydrochloride 1-(2H-1,3-Benzodioxol-5-yl)-2-(methylamino)-butan-1-one hydrochloride 1-(benzo[d][1,3]dioxol-5-yl)-2-(methylamino)butan-1-one hydrochloride |
| CAS | 17762-90-2 |
| EINECS | 687-141-7 |
| InChI | InChI=1/C12H15NO3.ClH/c1-3-9(13-2)12(14)8-4-5-10-11(6-8)16-7-15-10;/h4-6,9,13H,3,7H2,1-2H3;1H |
1-(2H-1,3-Benzodioxol-5-yl)-2-(methylamino)-butan-1-one hydrochloride - Physico-chemical Properties
| Molecular Formula | C12H15NO3.ClH |
| Molar Mass | 257.71 |
| Melting Point | 223-228°C |
| Boling Point | 391.1°C at 760 mmHg |
| Flash Point | 9℃ |
| Vapor Presure | 1.68E-06mmHg at 25°C |
| Storage Condition | Controlled Substance, -20°C Freezer, Under Inert Atmosphere |
1-(2H-1,3-Benzodioxol-5-yl)-2-(methylamino)-butan-1-one hydrochloride - Risk and Safety
| Risk Codes | 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 |
| 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. |
| UN IDs | UN1230 - class 3 - PG 2 - Methanol, solution |
| WGK Germany | 1 |
1-(2H-1,3-Benzodioxol-5-yl)-2-(methylamino)-butan-1-one hydrochloride - Nature
Open Data Unverified Data
melting point 223-228°C
Storage conditions Controlled Substance, -20°C Freezer, Under alert Atmosphere
Last Update：2024-01-02 23:10:35
1-(2H-1,3-Benzodioxol-5-yl)-2-(methylamino)-butan-1-one hydrochloride - Chemical properties
Open Data Unverified Data
methylenedioxybenzene is a light yellow transparent liquid. Boiling point 172-173 °c/101.3kPa;74-75 °c/3.3kPa;57 °c/1.33kPa, Flash Point 61 °c. Refractive index n20D1.5400, relative density d204 = 1.064. It is soluble in most organic solvents, but insoluble in water.
Last Update：2022-01-01 08:51:10
1-(2H-1,3-Benzodioxol-5-yl)-2-(methylamino)-butan-1-one hydrochloride - Production method
Open Data Unverified Data
obtained by cyclization of Catechol. First, the Catechol is dissolved in dimethyl sulfoxide (DMSO), then sodium hydroxide is dissolved in the remaining dimethyl sulfoxide, and dichloromethane is added, stirring, heating reflux, when the temperature rises to 95 ℃, the catechol dimethyl sulfoxide solution was added dropwise, maintaining the reflux temperature at 95-110 °c. After the dropwise addition was completed, the mixture was kept at 110-115 ° C. And stirred for 1H. Then, steam distillation was carried out at 130 ° C., the low boiling point fraction below 98 ° C. Was applied to the next batch, and the normal fraction at 98-110 ° C. Was collected, and the oil layer was separated after being left to stand, thereby obtaining pepper ring with a yield of 85%.
preparation
20g of Catechol, 50% ml of dichloromethane and 75ml of dimethyl sulfoxide (DMSO) were added to a three-necked flask with ml in this order, the temperature is controlled at 90 degrees reflux heating for 4 hours, then distillation recovery dichloromethane, distillation of the remaining liquid to obtain crude product, with water to neutral, then dried with anhydrous sodium sulfate to obtain colorless oily liquid pepper ring about 10g, the yield is about 57%.
Last Update：2022-01-01 08:51:11
1-(2H-1,3-Benzodioxol-5-yl)-2-(methylamino)-butan-1-one hydrochloride - Use
Open Data Unverified Data
methylenedioxybenzene is an important intermediate in organic synthesis, which is used as an important intermediate in perfume, medicine and pesticide. For example, it can be used in the synthesis of Miloxacin in the pharmaceutical industry. And Oxolinic acid, etc.
Last Update：2022-01-01 08:51:11
