3-Chloro-4-methoxybenzenemethanamine supplier

Name
3-Chloro-4-methoxybenzenemethanamine
EINECS
CAS No. 115514-77-7
Article Data4
CAS DataBase
Density 1.18 g/cm³
Solubility
Melting Point
Formula C₈H₁₀ClNO
Boiling Point 263.5 °C at 760 mmHg
Molecular Weight 171.626
Flash Point 113.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms (3-Chloro-4-methoxyphenyl)methanamine;3-Chloro-4-methoxybenzylamine;[[3-Chloro-4-methoxyphenyl]methyl]amine;
PSA 35.25000
LogP 2.50760

Synthetic route

: C14H20ClN4O(1+)*Cl(1-)

: 115514-77-7
(3-chloro-4-methoxyphenyl)methanamine

Conditions

Conditions	Yield
With hydrogenchloride at 50℃; for 1h;	80%

: 2393-23-9
4-methoxy-benzylamine

: 115514-77-7
(3-chloro-4-methoxyphenyl)methanamine

Conditions

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

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%

...Expand

: 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

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%

: 115514-77-7
(3-chloro-4-methoxyphenyl)methanamine

: 175277-11-9
3-(tert-butyl)-1-methyl-1H-pyrazole-5-carboxylic acid

: 3-(tert-butyl)-N-(3-chloro-4-methoxybenzyl)-1-methyl-1H-pyrazole-5-carboxamide

Conditions

Conditions	Yield
With O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide at 20 - 25℃; for 12h; Inert atmosphere;	66%

: 675-10-5
4-hydroxy-6-methyl-2-pyron

: 115514-77-7
(3-chloro-4-methoxyphenyl)methanamine

: 883507-92-4
1-(3-chloro-4-methoxybenzyl)-4-hydroxy-6-methylpyridin-2(1H)-one

Conditions

Conditions	Yield
In water at 100℃; for 5.33333h; Heating / reflux;	63%

: 4752-10-7
1,4-dichlorophthalazine

: 115514-77-7
(3-chloro-4-methoxyphenyl)methanamine

: 4-chloro-N-[(3-chloro-4-methoxyphenyl)methyl]phthalazin-1-amine

Conditions

Conditions	Yield
With sodium carbonate In N,N-dimethyl-formamide at 130℃;	62%

: 1448419-27-9
tert-butyl 10-chloro-8-cyano-3,4-dihydrobenzo[b][1,6]-naphthyridine-2(1H)-carboxylate

: 115514-77-7
(3-chloro-4-methoxyphenyl)methanamine

: 1448419-28-0
tert-butyl 10-((3-chloro-4-methoxybenzyl)amino)-8-cyano-3,4-dihydrobenzo[b][1,6]naphthyridine-2-(1H)-carboxylate

Conditions

Conditions	Yield
With triethylamine; sodium iodide In 1-methyl-pyrrolidin-2-one at 130℃; Inert atmosphere;	49%

: 115514-77-7
(3-chloro-4-methoxyphenyl)methanamine

: 3-bromo-5-(trifluoromethyl)-1-cyclopentyl-1H-indazole

: N-[(3-chloro-4-methoxyphenyl)methyl]-1-cyclopentyl-5-(trifluoromethyl)-1H-indazol-3-amine

Conditions

Conditions	Yield
With dicyclohexyl-(2′,4′,6′-triisopropyl-3,6-dimethoxy-[1,1′-biphenyl]-2-yl)phosphine; palladium diacetate; caesium carbonate In 1,4-dioxane at 120℃; Buchwald-Hartwig Coupling; Inert atmosphere; Sealed tube;	44%

: 115514-77-7
(3-chloro-4-methoxyphenyl)methanamine

: 98408-17-4
8-bromo-7-(3-chloropropyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione

: 9-(3-chloro-4-methoxybenzyl)-1,3-dimethyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione

Conditions

Conditions	Yield
In propan-1-ol at 160℃; under 7500.75 Torr; for 1h; Microwave irradiation; Sealed tube;	41%

: 115514-77-7
(3-chloro-4-methoxyphenyl)methanamine

: (±)-9-tosyl-9-azabicyclo[4.2.1]nonane-2-carboxylic acid

: (±)-N-(3-chloro-4-methoxybenzyl)-9-tosyl-9-azabicyclo[4.2.1]nonane-2-carboxamide

Conditions

Conditions	Yield
With N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate In N,N-dimethyl-formamide at 20℃; Inert atmosphere;	31%

: 96-09-3
styrene oxide

: 115514-77-7
(3-chloro-4-methoxyphenyl)methanamine

: 115514-78-8
N-(3-chloro-4-methoxybenzyl)-2-hydroxyphenethylamine

Conditions

Conditions	Yield
In acetonitrile for 16h; Heating;	25%

: 115514-77-7
(3-chloro-4-methoxyphenyl)methanamine

: spirothiazamenthane

: N-(3-chloro-4-methoxybenzyl)-4,4,8-trimethyl-1-thia-3-azaspiro[4.5]dec-2-en-2-amine

Conditions

Conditions	Yield
With toluene-4-sulfonic acid In toluene at 150℃; for 4h; Microwave irradiation;	18%

: 115514-77-7
(3-chloro-4-methoxyphenyl)methanamine

: 2-(4-((1H-pyrazol-1-yl)methyl)benzyl)-4-chloro-2H-pyrazolo[3,4-d]pyrimidine

: 2-(4-((1H-pyrazol-1-yl)methyl)benzyl)-N-(3-chloro-4-methoxybenzyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine

Conditions

Conditions	Yield
at 120℃; for 3h;	5%

: 115514-77-7
(3-chloro-4-methoxyphenyl)methanamine

: 384835-99-8
5-chloro-8-[5-(3-dimethylamino-pyrrolidine-1-sulfonyl)-2-propoxy-phenyl]-2-(4-methoxy-benzyl)-2,7-dihydro-2,3,4,7,9-pentaaza-cyclopenta[a]naphthalen-6-one

: 459124-67-5
5-(3-chloro-4-methoxy-benzylamino)-8-[5-(3-dimethylamino-pyrrolidine-1-sulfonyl)-2-propoxy-phenyl]-2-(4-methoxy-benzyl)-2,7-dihydro-2,3,4,7,9-pentaaza-cyclopenta[a]naphthalen-6-one

Conditions

Conditions	Yield
With N-ethyl-N,N-diisopropylamine In propan-1-ol for 4h; Heating;

: 956460-96-1
4-(tert-butoxycarbonylamino)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylic acid

: 115514-77-7
(3-chloro-4-methoxyphenyl)methanamine

: C25H31ClN6O4

Conditions

Conditions	Yield
With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine In 1-methyl-pyrrolidin-2-one at 60℃; for 16h;

: 115514-77-7
(3-chloro-4-methoxyphenyl)methanamine

: 162012-71-7
4,7-dichloro-6-nitro-quinazoline

: 1007308-59-9
C16H12Cl2N4O3

Conditions

Conditions	Yield
With triethylamine In isopropyl alcohol
Stage #1: (3-chloro-4-methoxyphenyl)methanamine; 4,7-dichloro-6-nitro-quinazoline With triethylamine; N,N-dimethyl-formamide In isopropyl alcohol at 20℃; for 17h; Stage #2: With sodium hydrogencarbonate In water; ethyl acetate

: 115514-77-7
(3-chloro-4-methoxyphenyl)methanamine

: 5-(3-chloro-4-methoxy-benzylamino)-8-[5-(3-dimethylamino-pyrrolidine-1-sulfonyl)-2-propoxy-phenyl]-2,7-dihydro-2,3,4,7,9-pentaaza-cyclopenta[a]naphthalen-6-one

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: DIEA / propan-1-ol / 4 h / Heating 2: TFA / 1 h / 60 °C View Scheme

: 115514-77-7
(3-chloro-4-methoxyphenyl)methanamine

: 115514-80-2
7-chloro-6-hydroxy-4-phenyl-1,2,3,4-tetrahydroisoquinoline

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: 25 percent / acetonitrile / 16 h / Heating 2: 92 percent / H2SO4 / 2 h / Ambient temperature 3: 21 percent / 48percent HBr / 12 h / 100 °C View Scheme

: 115514-77-7
(3-chloro-4-methoxyphenyl)methanamine

: 115514-79-9
7-chloro-6-methoxy-4-phenyl-1,2,3,4-tetrahydroisoquinoline

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 25 percent / acetonitrile / 16 h / Heating 2: 92 percent / H2SO4 / 2 h / Ambient temperature View Scheme

: 115514-77-7
(3-chloro-4-methoxyphenyl)methanamine

: 115514-82-4
sch 23390

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1: 25 percent / acetonitrile / 16 h / Heating 2: 92 percent / H2SO4 / 2 h / Ambient temperature 3: 74 percent / formic acid / 4 h / Heating 4: 83 percent / 48percent HBr / 12 h / 100 °C View Scheme

: 115514-77-7
(3-chloro-4-methoxyphenyl)methanamine

: 115514-81-3
N-methyl-7-chloro-6-methoxy-4-phenyl-1,2,3,4-tetrahydroisoquinoline

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: 25 percent / acetonitrile / 16 h / Heating 2: 92 percent / H2SO4 / 2 h / Ambient temperature 3: 74 percent / formic acid / 4 h / Heating View Scheme

: 247909-63-3
Methyl 3-(4-chlorobenzothieno[2, 3-d]pyrimid in-2-yl)propionate

: 115514-77-7
(3-chloro-4-methoxyphenyl)methanamine

: 247909-64-4
methyl 3-[4-(3-chloro-4-methoxybenzylamino)benzothieno-[2,3-d]pyrimidin-2-yl]propionate

Conditions

Conditions	Yield
In 1-methyl-pyrrolidin-2-one at 110℃; for 5h;

: methyl 4-(4-chlorobenzothieno[2, 3-d]pyrimidin-2-yl)phenylcarboxylate

: 115514-77-7
(3-chloro-4-methoxyphenyl)methanamine

: methyl 4-[4-(3-chloro-4-methoxybenzylamino)-[1]benzothieno[2,3-d]pyrimidin-2-yl]benzoate

Conditions

Conditions	Yield
In 1-methyl-pyrrolidin-2-one at 110℃; for 4h;
With hydrogen sulfide; dimethyl amine; trichlorophosphate In 1-methyl-pyrrolidin-2-one

: 115514-77-7
(3-chloro-4-methoxyphenyl)methanamine

: 859517-85-4
4-(aminomethyl)-2-chlorophenol hydrobromide

Conditions

Conditions	Yield
With water; hydrogen bromide at 133℃; for 4h;

: 38496-18-3
2,6-dichloropyridine-3-carboxylic acid

: 115514-77-7
(3-chloro-4-methoxyphenyl)methanamine

: 372117-97-0
2-chloro-5-carboxy-6-(3-chloro-4-methoxybenzylamino)pyridine

Conditions

Conditions	Yield
With 1-methyl-pyrrolidin-2-one; potassium carbonate; copper(I) bromide at 120℃; for 2.5h;

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

Product Name

3-Chloro-4-methoxybenzenemethanamine

Synthetic route

3-Chloro-4-methoxybenzenemethanamine Specification

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