Azocane
Heptamethyleneimine
CAS: 1121-92-2
Molecular Formula: C7H15N
Azocane - Names and Identifiers
| Name | Heptamethyleneimine |
| Synonyms | Azocane Perhydroazocine 1,7-HEPTANEDIOL octahydro-azocin Perhydroa-zocine Azocine,octahydro- Heptamethylenimine Azocine, octahydro- Heptamethyleneimine Heptamethyleneimine, 9 |
| CAS | 1121-92-2 |
| EINECS | 214-342-5 |
| InChI | InChI=1/C7H15N/c1-2-4-6-8-7-5-3-1/h8H,1-7H2/p+1 |
Azocane - Physico-chemical Properties
| Molecular Formula | C7H15N |
| Molar Mass | 113.2 |
| Density | 0.896 g/mL at 25 °C (lit.) |
| Melting Point | 17-19 °C(lit.) |
| Boling Point | 154.6°C at 760 mmHg |
| Flash Point | 29.4°C |
| Vapor Presure | 3.15mmHg at 25°C |
| pKa | pK1: 11.1(+1) (25°C) |
| Storage Condition | Room Temprature |
| Refractive Index | n20/D 1.471(lit.) |
| MDL | MFCD00003270 |
| Physical and Chemical Properties | Chemical properties Solid or liquid. Melting point 29 ℃, boiling point 75-77 ℃(4kPa),51-53 ℃(2.0kPa), relative density 0.896(21/4 ℃), refractive index 1.4740(21%), flash point 29 ℃. |
| Use | Used as a pharmaceutical Intermediate |
Azocane - Risk and Safety
| Hazard Symbols | C - Corrosive |
| Risk Codes | R10 - Flammable R34 - Causes burns |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. S45 - In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) |
| UN IDs | UN 1993 3/PG 3 |
| WGK Germany | 3 |
| RTECS | MI9804000 |
| HS Code | 29339900 |
| Hazard Class | 3.2 |
| Packing Group | III |
Azocane - Upstream Downstream Industry
Azocane - Uses and synthesis methods
use
Organic synthetic intermediate, used in the manufacture of the antihypertensive drug guanethidine.
production method
It is obtained by thiolysis and reduction of heptyllactam ([673-66-5]). 1. Thio Add heptyllactam to water, heat to 60 ℃ to start adding phosphorus pentasulfide, control the temperature at 85-95 ℃, and add it in about 1.5h. Raise the temperature to 115-118 ℃ and stir for 0.5h. Cooling 105 ℃, dropping water and decomposing for 1h. Cool down to 30 ℃ and filter. The filtrate is cooled and crystallized to obtain crude thiopheptyllactam, and the mother liquor is added with hydrochloric acid to precipitate the crude. The combined crude product is dissolved in alcohol, and activated carbon is added to decolorize, filter and crystallize to obtain refined thioheptyllactam. 2. Reduction Add ethanol, refined thiopheptyllactam and potassium borohydrogen to the reaction pot and mix, heat to 74 ℃, add water dropwise under reflux, add it for about 3 hours, and then continue to reflux for 1 hour. Cool down to below 30 ℃, add hydrochloric acid to pH 1. Heat up to boiling and drive out hydrogen sulfide. After distillation and recovery of ethanol, the temperature is lowered to below 20 ℃, and liquid alkali is added to pH 14. Then steam distillation is performed. The distillate is extracted with xylene, dried with anhydrous sodium carbonate, and filtered to obtain cycloheptamine xylene solution. The finished product is obtained by dissolving.
Last Update：2024-04-09 22:09:11
Azocane - Nature
| BRN | 102615 |
Last Update：2024-04-10 22:29:15
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View History
Raw Materials for Azocane
Sodium carbonate
Phosphorus pentasulfide
Activated carbon,decolor
Benzenesulfonamide, N-(7-bromoheptyl)-4-methyl-
Azocine, octahydro-1-[(4-methylphenyl)sulfonyl]-
CYCLOHEPTANONE OXIME
Cycloheptanone
Phosphorus pentasulfide
Activated carbon,decolor
Benzenesulfonamide, N-(7-bromoheptyl)-4-methyl-
Azocine, octahydro-1-[(4-methylphenyl)sulfonyl]-
CYCLOHEPTANONE OXIME
Cycloheptanone
Downstream Products for Azocane