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CAS No.: | 115514-77-7 |
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Name: | 3-Chloro-4-methoxybenzenemethanamine |
Article Data: | 4 |
Molecular Structure: | |
Formula: | C8H10ClNO |
Molecular Weight: | 171.626 |
Synonyms: | (3-Chloro-4-methoxyphenyl)methanamine;3-Chloro-4-methoxybenzylamine;[[3-Chloro-4-methoxyphenyl]methyl]amine; |
Density: | 1.18 g/cm3 |
Boiling Point: | 263.5 °C at 760 mmHg |
Flash Point: | 113.2 °C |
PSA: | 35.25000 |
LogP: | 2.50760 |
(3-chloro-4-methoxyphenyl)methanamine
Conditions | Yield |
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With hydrogenchloride at 50℃; for 1h; | 80% |
4-methoxy-benzylamine
(3-chloro-4-methoxyphenyl)methanamine
Conditions | Yield |
---|---|
With chlorine In acetic acid for 1h; Ambient temperature; | 34% |
With sulfuryl dichloride In acetic acid at 0 - 20℃; for 4h; |
(3-chloro-4-methoxyphenyl)methylamine hydrogen chloride
(3-chloro-4-methoxyphenyl)methanamine
Conditions | Yield |
---|---|
With sodium hydroxide In water; toluene at 25 - 30℃; |
3-chloro-4-methoxybenzyl alcohol
(3-chloro-4-methoxyphenyl)methanamine
Conditions | Yield |
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Multi-step reaction with 3 steps 1: thionyl chloride / N,N-dimethyl-formamide; dichloromethane / Reflux 2: ethanol / 2 h / 20 - 30 °C / Reflux 3: hydrogenchloride / 1 h / 50 °C View Scheme |
4-chloro-2-methanesulfanylpyrimidine-5-carboxylic acid ethyl ester
(3-chloro-4-methoxyphenyl)methanamine
ethyl 4-[(3-chloro-4-methoxybenzyl)amino]-2-(methylsulfanyl)pyrimidine-5-carboxylate
Conditions | Yield |
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With triethylamine In tetrahydrofuran at 20℃; | 100% |
With triethylamine In acetone at 20℃; for 3h; | 87% |
With triethylamine In dichloromethane at 20℃; for 10h; | 76% |
(3-chloro-4-methoxyphenyl)methanamine
2-methylsulfonyl-5-ethoxycarbonyl-4-(3-chloro-4-methoxybenzylamino)pyrimidine
Conditions | Yield |
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Stage #1: C8H10N2O5S With N-ethyl-N,N-diisopropylamine; trichlorophosphate In toluene Reflux; Green chemistry; Stage #2: (3-chloro-4-methoxyphenyl)methanamine With N-isopropylethylamine In toluene Reagent/catalyst; Green chemistry; | 97.2% |
Stage #1: C8H10N2O5S With N-ethyl-N,N-diisopropylamine; trichlorophosphate In toluene Reflux; Stage #2: (3-chloro-4-methoxyphenyl)methanamine With N-isopropylethylamine In toluene | 96.8% |
(3-chloro-4-methoxyphenyl)methanamine
3-chloro-4-methoxy-benzaldehyde
Conditions | Yield |
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With oxygen; [5,6]fullerene-C70 In chloroform; toluene at 20℃; for 24h; Sealed tube; Irradiation; | 96% |
Conditions | Yield |
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With sodium carbonate In N,N-dimethyl-formamide at 60℃; for 4h; Reflux; | 95% |
(3-chloro-4-methoxyphenyl)methanamine
2-aminomethylpyrimidine
Conditions | Yield |
---|---|
Stage #1: C6H6N2O5S With N-ethyl-N,N-diisopropylamine; trichlorophosphate In toluene Reflux; Stage #2: 2-aminomethylpyrimidine With N-ethyl-N,N-diisopropylamine In toluene at -8℃; Stage #3: (3-chloro-4-methoxyphenyl)methanamine With N-ethyl-N,N-diisopropylamine In toluene at 0℃; Temperature; | 93.8% |
(3-chloro-4-methoxyphenyl)methanamine
Conditions | Yield |
---|---|
Stage #1: 5-(4-{[4-(acetyloxy)piperidin-1-yl]methyl}-1,3-thiazol-2-yl)-1-ethyl-1H-indole-3-carboxylic acid With diphenyl phosphoryl azide; triethylamine In toluene at 20℃; for 0.5h; Stage #2: (3-chloro-4-methoxyphenyl)methanamine In toluene for 2h; Reflux; | 75% |
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The 3-Chloro-4-methoxybenzenemethanamine with the cas number 115514-77-7 is also called Benzenemethanamine,3-chloro-4-methoxy-. The systematic name is 1-(3-chloro-4-methoxyphenyl)methanamine. Its molecular formula is C8H10ClNO. This chemical is a kind of organics. It should be stored in dry and cool environment.
The properties of the chemical are: (1)ACD/LogP: 1.55; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 12.47 Å2; (7)Index of Refraction: 1.549; (8)Molar Refractivity: 46.27 cm3; (9)Molar Volume: 145.3 cm3; (10)Polarizability: 18.34×10-24cm3; (11)Surface Tension: 40 dyne/cm; (12)Enthalpy of Vaporization: 50.14 kJ/mol; (13)Vapour Pressure: 0.0102 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cc(ccc1OC)CN
(2)InChI: InChI=1/C8H10ClNO/c1-11-8-3-2-6(5-10)4-7(8)9/h2-4H,5,10H2,1H3
(3)InChIKey: OCNMSDZALRAYEX-UHFFFAOYAR