| Identification | Back Directory | [Name]
3-METHOXY-N-METHYLBENZYLAMINE 97 | [CAS]
41789-95-1 | [Synonyms]
3-METHOXY-N-METHYLBE
Diclofensine Impurity 1
(3-methoxybenzyl)methylamine
3-Methoxy-N-methylbenzylamine
N-Methyl-3-MethoxybenzylaMine
N-(3-METHOXYBENZYL)-N-METHYLAMINE
3-METHOXY-N-METHYLBENZYLAMINE 97
(3-Methoxyphenyl)-N-MethylMethanaMine
3-Methoxy-1-(MethylaMinoMethyl)benzene
[(3-Methoxyphenyl)Methyl](Methyl)aMine
BENZENEMETHANAMINE, 3-METHOXY-N-METHYL-
1-(3-methoxyphenyl)-N-methylmethanamine
N-Methyl-1-[3-(Methoxy)phenyl]MethanaMine
(3-methoxybenzyl)methylamine hydrochloride
(3-methoxybenzyl)methylamine(SALTDATA: FREE) | [Molecular Formula]
C9H13NO | [MDL Number]
MFCD04618244 | [MOL File]
41789-95-1.mol | [Molecular Weight]
151.21 |
| Chemical Properties | Back Directory | [Boiling point ]
130-133 °C28 mm Hg(lit.)
| [density ]
1.014 g/mL at 25 °C(lit.)
| [refractive index ]
n20/D 1.5290(lit.)
| [Fp ]
212 °F
| [storage temp. ]
Keep in dark place,Sealed in dry,Room Temperature | [solubility ]
Soluble in chloroform, dichloromethane, ethyl acetate and methanol. | [form ]
Liquid | [pka]
9.65±0.10(Predicted) | [Sensitive ]
Air Sensitive | [InChI]
1S/C9H13NO/c1-10-7-8-4-3-5-9(6-8)11-2/h3-6,10H,7H2,1-2H3 | [InChIKey]
FIFKRPFWLHBMHL-UHFFFAOYSA-N | [SMILES]
CNCc1cccc(OC)c1 |
| Safety Data | Back Directory | [Hazard Codes ]
Xn | [Risk Statements ]
22-41-43 | [Safety Statements ]
26-36/37/39 | [WGK Germany ]
2
| [HazardClass ]
IRRITANT | [HS Code ]
2922290090 | [Storage Class]
10 - Combustible liquids | [Hazard Classifications]
Acute Tox. 4 Oral
Eye Dam. 1
Skin Sens. 1 |
| Hazard Information | Back Directory | [Chemical Properties]
Liquid | [Uses]
Intermediate in the synthesis of Diclofensine Hydrochloride | [Synthesis]
To a solution of 3-methoxybenzaldehyde (180 g, 1.32 mol) in methanol (1 L) was slowly added 40% aqueous methylamine (113 mL, 1.31 mol), and the reaction mixture was stirred at 0 °C for 1 hour. Subsequently, sodium borohydride (75 g, 1.98 mol) was added in batches at the same temperature and stirring was continued for 1 hour. Upon completion of the reaction, the solution was concentrated under reduced pressure to a smaller volume, diluted with water (200 mL) and extracted with dichloromethane (3 x 500 mL). The organic phases were combined, dried over anhydrous sodium sulfate, filtered and concentrated under reduced pressure to give the crude product N-methyl-3-methoxybenzylamine (220 g, quantitatively) as a clear oil, which was used directly in the subsequent reaction without further purification.1H NMR (CDCl3, 500 MHz) δ: 7.23 (t, J = 8.0 Hz, 1H), 6.92-6.88 (m, 2H), 6.81-6.78 (m, 2H), 6.81-6.78 (m, 2H), 6.81-6.78 (m, 2H). 6.81-6.78 (m, 1H), 3.80 (s, 3H), 3.73 (s, 2H), 2.45 (s, 3H), 2.07 (br s, 1H). | [References]
[1] Patent: WO2010/132437, 2010, A1. Location in patent: Page/Page column 74; 101-102
[2] Patent: WO2009/149258, 2009, A2. Location in patent: Page/Page column 19; 23
[3] Patent: US2007/21408, 2007, A1. Location in patent: Page/Page column 57; 59; 60; 62; 63; 64-65; 66; 70; 71; 73; 74; 88
[4] Patent: US2014/275101, 2014, A1. Location in patent: Paragraph 0072; 0074; 0075
[5] Synthesis, 1990, # 3, p. 253 - 255 |
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