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3-Chloro-4-methoxybenzenemethanamine
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Name

3-Chloro-4-methoxybenzenemethanamine

 EINECS N/A
CAS No. 115514-77-7 Density 1.18 g/cm3
PSA 35.25000 LogP 2.50760
Solubility N/A Melting Point N/A
Formula C8H10ClNO Boiling Point 263.5 °C at 760 mmHg
Molecular Weight 171.626 Flash Point 113.2 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 115514-77-7 (3-Chloro-4-methoxybenzenemethanamine) Hazard Symbols N/A
Synonyms

(3-Chloro-4-methoxyphenyl)methanamine;3-Chloro-4-methoxybenzylamine;[[3-Chloro-4-methoxyphenyl]methyl]amine;

Article Data 4

3-Chloro-4-methoxybenzenemethanamine Synthetic route

C14H20ClN4O(1+)*Cl(1-)

115514-77-7

(3-chloro-4-methoxyphenyl)methanamine

Conditions
ConditionsYield
With hydrogenchloride at 50℃; for 1h;80%
2393-23-9

4-methoxy-benzylamine

115514-77-7

(3-chloro-4-methoxyphenyl)methanamine

Conditions
ConditionsYield
With chlorine In acetic acid for 1h; Ambient temperature;34%
With sulfuryl dichloride In acetic acid at 0 - 20℃; for 4h;
41965-95-1

(3-chloro-4-methoxyphenyl)methylamine hydrogen chloride

115514-77-7

(3-chloro-4-methoxyphenyl)methanamine

Conditions
ConditionsYield
With sodium hydroxide In water; toluene at 25 - 30℃;
14503-45-8

3-chloro-4-methoxybenzyl alcohol

115514-77-7

(3-chloro-4-methoxyphenyl)methanamine

Conditions
ConditionsYield
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
5909-24-0

4-chloro-2-methanesulfanylpyrimidine-5-carboxylic acid ethyl ester

115514-77-7

(3-chloro-4-methoxyphenyl)methanamine

330785-81-4

ethyl 4-[(3-chloro-4-methoxybenzyl)amino]-2-(methylsulfanyl)pyrimidine-5-carboxylate

Conditions
ConditionsYield
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%
115514-77-7

(3-chloro-4-methoxyphenyl)methanamine

C8H10N2O5S

372117-76-5

2-methylsulfonyl-5-ethoxycarbonyl-4-(3-chloro-4-methoxybenzylamino)pyrimidine

Conditions
ConditionsYield
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%
115514-77-7

(3-chloro-4-methoxyphenyl)methanamine

4903-09-7

3-chloro-4-methoxy-benzaldehyde

Conditions
ConditionsYield
With oxygen; [5,6]fullerene-C70 In chloroform; toluene at 20℃; for 24h; Sealed tube; Irradiation;96%
115514-77-7

(3-chloro-4-methoxyphenyl)methanamine

C13H16ClN3O4

C21H25ClN4O5

Conditions
ConditionsYield
With sodium carbonate In N,N-dimethyl-formamide at 60℃; for 4h; Reflux;95%
115514-77-7

(3-chloro-4-methoxyphenyl)methanamine

C6H6N2O5S

75985-45-4

2-aminomethylpyrimidine

4-[(3-chloro-4-methoxybenzyl)amino]-2-methanesulfonyl-N-(2-pyrimidinylmethyl)-5-pyrimidinecarboxamide

Conditions
ConditionsYield
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%
115514-77-7

(3-chloro-4-methoxyphenyl)methanamine

5-(4-{[4-(acetyloxy)piperidin-1-yl]methyl}-1,3-thiazol-2-yl)-1-ethyl-1H-indole-3-carboxylic acid

1-((2-(3-(3-(3-chloro-4-methoxyphenyl)ureido)-1-ethyl-1H-indol-5-yl)thiazol-4-yl)methyl )piperidin-4-yl acetate

Conditions
ConditionsYield
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%

3-Chloro-4-methoxybenzenemethanamine Specification

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

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