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| CAS No.: | 2620-50-0 |
|---|---|
| Name: | Piperonylamine |
| Article Data: | 39 |
| Molecular Structure: | |
|
|
|
| Formula: | C8H9NO2 |
| Molecular Weight: | 151.165 |
| Synonyms: | Piperonylamine(6CI,7CI,8CI);(Benzo[d][1,3]dioxol-5-yl)methanamine;1,3-Benzodioxol-5-ylmethanamine;1,3-Benzodioxol-5-ylmethylamine;1-(1,3-Benzodioxol-5-yl)methanamine;1-(Aminomethyl)-3,4-(methylenedioxy)benzene;3,4-(Methylenedioxy)benzylamine;3,4-Methylenedioxyphenylmethylamine;5-Aminomethyl-1,3-benzodioxole;NSC 75851;[(Benzodioxol-5-yl)methyl]amine; |
| EINECS: | 220-056-1 |
| Density: | 1.253 g/cm3 |
| Boiling Point: | 267 °C at 760 mmHg |
| Flash Point: | 120.9 °C |
| Solubility: | 0.9 g/100 mL in water |
| Appearance: | Colorless to light yellow liquid |
| Hazard Symbols: |
 Xi, C
|
| Risk Codes: | 36/37/38-34 |
| Safety: | 26-36-28-23 |
| Transport Information: | UN 2735 |
| PSA: | 44.48000 |
| LogP: | 1.57430 |
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- 852475-26-4MC1568
| Conditions | Yield |
|---|---|
| With lithium aluminium tetrahydride In diethyl ether for 2h; Reflux; | 100% |
| With ammonia; hydrogen In water; isopropyl alcohol at 110℃; under 15001.5 Torr; for 24h; Temperature; Autoclave; | 95% |
| With ammonia; hydrogen In toluene at 120℃; under 22502.3 Torr; for 16h; Autoclave; | 91% |
| Conditions | Yield |
|---|---|
| With nickel(II) tetrafluoroborate hexahydrate; ammonia; hydrogen; bis(2-diphenylphosphinoethyl)phenylphosphine In 2,2,2-trifluoroethanol at 100℃; for 24h; chemoselective reaction; | 95% |
| With ammonia; hydrogen In tert-butyl alcohol at 120℃; for 15h; | 89% |
| With ammonium formate In toluene at 80℃; for 3h; Inert atmosphere; chemoselective reaction; | 72% |
- 4421-09-4
piperonylonitrile
A
- 2620-50-0
1,3-benzodioxol-5-ylmethyl amine
B
- 6701-35-5
bis(benzo[d][1,3]dioxol-5-ylmethyl)amine
| Conditions | Yield |
|---|---|
| With sodium tetrahydroborate; nickel dichloride In ethanol at 20℃; for 0.0833333h; | A 85% B 5% |
- 214783-17-2
5-(azidomethyl)benzo[d][1,3]dioxole
- 2620-50-0
1,3-benzodioxol-5-ylmethyl amine
| Conditions | Yield |
|---|---|
| Stage #1: 5-(azidomethyl)benzo[d][1,3]dioxole With triphenylphosphine at 110℃; for 20h; Staudinger Azide Reduction; Green chemistry; Stage #2: With hydrogenchloride In 1,4-dioxane; diethyl ether Green chemistry; | 85% |
- 106043-11-2
2-Trimethylsilanyl-ethanesulfonic acid (benzo[1,3]dioxol-5-ylmethyl)-amide
- 2620-50-0
1,3-benzodioxol-5-ylmethyl amine
| Conditions | Yield |
|---|---|
| With cesium fluoride In N,N-dimethyl-formamide at 95℃; for 22h; | 80% |
| With cesium fluoride In N,N-dimethyl-formamide at 110℃; for 48h; Inert atmosphere; |
- 67-56-1
methanol
- 214783-17-2
5-(azidomethyl)benzo[d][1,3]dioxole
A
- 2620-50-0
1,3-benzodioxol-5-ylmethyl amine
B
- 15205-27-3
N-methylpiperonylamine
C
- 58995-64-5
1-(N,N-dimethylaminomethyl)-3,4-(methylenedioxy)benzene
| Conditions | Yield |
|---|---|
| With trans-RuCl(phenpyra-Me)(PPh3)2PF6; sodium hydroxide at 125℃; for 3h; Sealed tube; Inert atmosphere; Glovebox; | A 9 %Chromat. B 66% C 7 %Chromat. |
- 432009-40-0
C16H13NO5
- 2620-50-0
1,3-benzodioxol-5-ylmethyl amine
| Conditions | Yield |
|---|---|
| With ethylenediamine In 1,4-dioxane; propan-1-ol; water for 24h; Reflux; | 20.2% |
- 2620-50-0
1,3-benzodioxol-5-ylmethyl amine
| Conditions | Yield |
|---|---|
| With hydrogenchloride; steam |
- 20747-42-6
piperonal-(Z)-oxime
- 2620-50-0
1,3-benzodioxol-5-ylmethyl amine
| Conditions | Yield |
|---|---|
| With sodium amalgam; acetic acid at 50 - 70℃; | |
| With sodium amalgam; ethanol; acetic acid | |
| With lithium amalgam; diethyl ether |
- 20747-42-6
piperonal-(Z)-oxime
A
- 2620-50-0
1,3-benzodioxol-5-ylmethyl amine
B
- 6701-35-5
bis(benzo[d][1,3]dioxol-5-ylmethyl)amine
| Conditions | Yield |
|---|---|
| With acetic acid; zinc |
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Specification
The 1,3-Benzodioxole-5-methanamine, with the CAS registry number 2620-50-0, is also known as 1-(1,3-Benzodioxol-5-yl)methanamine. It belongs to the product categories of Anilines, Aromatic Amines and Nitro Compounds; Amine. Its EINECS registry number is 220-056-1. This chemical's molecular formula is C8H9NO2 and molecular weight is 151.16. What's more, its IUPAC name is called 1,3-Benzodioxol-5-ylmethanamine. It should be kept in a cold, dry and sealed place.
Physical properties about 1,3-Benzodioxole-5-methanamine are: (1)ACD/LogP: 0.95; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.09; (4)ACD/LogD (pH 7.4): -1.02; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 21.7 Å2; (13)Index of Refraction: 1.592; (14)Molar Refractivity: 40.86 cm3; (15)Molar Volume: 120.5 cm3; (16)Surface Tension: 55 dyne/cm; (17)Density: 1.253 g/cm3; (18)Flash Point: 120.9 °C; (19)Enthalpy of Vaporization: 50.5 kJ/mol; (20)Boiling Point: 267 °C at 760 mmHg; (21)Vapour Pressure: 0.00837 mmHg at 25 °C.
Uses of 1,3-Benzodioxole-5-methanamine: it is used to produce other chemicals. For example, it can react with 1H-Benzo[d][1,3]oxazine-2,4-dione to get 2-Amino-N-benzo[1,3]dioxol-5-ylmethyl-benzamide. The reaction occurs with reagent ethanol and other condition of heating for 2 hours.
![1,3-Benzodioxole-5-methanamine can react with 1H-Benzo[d][1,3]oxazine-2,4-dione to get 2-Amino-N-benzo[1,3]dioxol-5-ylmethyl-benzamide.](/UserFilesUpload/Uses of 1,3-Benzodioxole-5-methanamine.jpg)
When you are dealing with this chemical, you should be very careful. It may destroy living tissue on contact and it may cause burns. This chemical is irritating to eyes, respiratory system and skin. Therefore, you can not breathe the gas/fumes/vapour/spray. You should wear suitable protective clothing. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1) SMILES: O1c2ccc(cc2OC1)CN
(2) InChI: InChI=1S/C8H9NO2/c9-4-6-1-2-7-8(3-6)11-5-10-7/h1-3H,4-5,9H2
(3) InChIKey: ZILSBZLQGRBMOR-UHFFFAOYSA-N