471-87-4
stachydrine
CAS: 471-87-4
Molecular Formula: C7H14NO2
471-87-4 - Names and Identifiers
| Name | stachydrine |
| Synonyms | Cadabine stachydrine N,N-Dimethyl-L-proline Methyl hygrate betaine 1-Methylproline methylbetaine 1,1-dimethylpyrrolidinium-2-carboxylate (2s)-1,1-dimethylpyrrolidinium-2-carboxylate (2S)-1,1-Dimethyl-2-carboxylatopyrrolidin-1-ium (2S)-2-Carboxylato-1,1-dimethylpyrrolidin-1-ium (Pyrrolidinium, 2-carboxy-1,1-dimethyl-, innersalt, (2S)- (S)-2-Carboxy-1,1-dimethylpyrrolidinium hydroxide inner salt |
| CAS | 471-87-4 |
| EINECS | 207-445-1 |
| InChI | InChI=1/C7H13NO2/c1-8(2)5-3-4-6(8)7(9)10/h6H,3-5H2,1-2H3/t6-/m0/s1 |
471-87-4 - Physico-chemical Properties
| Molecular Formula | C7H14NO2 |
| Molar Mass | 144.19 |
| Density | 1.1095 (rough estimate) |
| Melting Point | 235°C |
| Boling Point | 261.28°C (rough estimate) |
| Specific Rotation(α) | [α]D23-44.3° (c=4.175，water) |
| Solubility | Soluble in water, methanol, ethanol, dilute acid, hot chloroform, almost insoluble in ether, acetone, cold chloroform and petroleum ether. |
| Appearance | White needle crystal (acetone) |
| Storage Condition | 2-8°C |
| Refractive Index | 1.4150 (estimate) |
| MDL | MFCD09837899 |
| Physical and Chemical Properties | White needle crystal (acetone), melting point 238~240 ℃,[α]D23-44.3 (c = 4.175, water), soluble in water, methanol, ethanol, dilute acid, hot chloroform, almost insoluble in ether, acetone, cold chloroform and petroleum ether. Hydrochloride, large prism (anhydrous ethanol), melting point 235 ℃ (decomposition),[α]D23-27 (c = 1.1, water), soluble in water, soluble in 13 parts of ethanol. IRνKBrmaxcm-1: 3450,1620,1480,1400,1370,1340,1320,1020,1000,960. 1HNMR (TFA) δ: 2.25~3.15 (4H,m,-(CH2)2-),3.45 (3H,s,N-CH3),3.53 (3H,N-CH3),3.7-4.0 (2H,m,N-CH2-),4.4~4.7 (1H,m,C-H). MS m/z: 143 (M ),141,129,126,98,84,82,58,56,44,42. |
471-87-4 - Risk and Safety
| HS Code | 29214980 |
471-87-4 - Reference
| Reference Show more | 1. Yu Yue, Liu Jing, Deng Bo, etc. Effects of exogenous root exudates on rhizobia symbiotic system of Medicago sativa [J]. Journal of Grassland Science, 2020. 2. [IF = 9.642] Shan Huang et al."Identification and quantitative chemical analysis of betaines in different organic waves and their bioconversion composites." Bioresource Technol. 2021 May;328:124857 3. [IF=3.645] Aijin Shen et al."Chemical profiling of Qingfei Paidu Decoction by triplex off-line two-dimensional liquid chromatography coupled with quadrupole time-of-flight mass spectrometry."Journal Of Separation Science. 2022 Jan 09 |
471-87-4 - Introduction
stachydrine, also known as biamine hydrobromide, is an inorganic compound with the chemical formula NH2Br, which is a white crystalline powder. The following is a description of the nature, use, formulation and safety information of stachydrine:
Nature:
1. stachydrine is easily soluble in water, and the solution is acidic;
2. Has a strong burning and pungent odor;
3. Hygroscopic in the air;
4. Thermal decomposition will release toxic bromine gas.
Use:
1. As a chemical reagent, it is commonly used in bromination reaction and substitution reaction in organic synthesis;
2. Can be used in the preparation of refrigerants, dyes and certain compounds in medicine.
Preparation Method:
The preparation of stachydrine can be carried out by the following steps:
1. Dissolving soda ash (such as sodium hydroxide) in water to obtain an alkali solution;
2. Slowly add bromine water (or ammonium bromide) to the alkali solution, and fully stir;
3. The precipitated stachydrine can be filtered, washed and dried.
Safety Information:
1. stachydrine is corrosive and irritating. When using, you should wear protective glasses and gloves to avoid contact with skin;
2. Avoid inhaling the gas of stachydrine powder or solution;
3. High concentration of bromine gas is toxic, and the operation needs to be carried out in a well-ventilated place;
4. stachydrine should be stored away from flammable and oxidizing agents.
Please note that stachydrine is a chemical substance with a high risk. Correct safety measures must be taken during operation and relevant operating procedures must be followed.
Nature:
1. stachydrine is easily soluble in water, and the solution is acidic;
2. Has a strong burning and pungent odor;
3. Hygroscopic in the air;
4. Thermal decomposition will release toxic bromine gas.
Use:
1. As a chemical reagent, it is commonly used in bromination reaction and substitution reaction in organic synthesis;
2. Can be used in the preparation of refrigerants, dyes and certain compounds in medicine.
Preparation Method:
The preparation of stachydrine can be carried out by the following steps:
1. Dissolving soda ash (such as sodium hydroxide) in water to obtain an alkali solution;
2. Slowly add bromine water (or ammonium bromide) to the alkali solution, and fully stir;
3. The precipitated stachydrine can be filtered, washed and dried.
Safety Information:
1. stachydrine is corrosive and irritating. When using, you should wear protective glasses and gloves to avoid contact with skin;
2. Avoid inhaling the gas of stachydrine powder or solution;
3. High concentration of bromine gas is toxic, and the operation needs to be carried out in a well-ventilated place;
4. stachydrine should be stored away from flammable and oxidizing agents.
Please note that stachydrine is a chemical substance with a high risk. Correct safety measures must be taken during operation and relevant operating procedures must be followed.
Last Update：2024-04-09 15:16:34
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