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6850-57-3

Basic Information
CAS No.: 6850-57-3
Name: 2-Methoxybenzylamine
Article Data: 54
Molecular Structure:
Molecular Structure of 6850-57-3 (2-Methoxybenzylamine)
Formula: C8H11NO
Molecular Weight: 137.181
Synonyms: Benzylamine,o-methoxy- (7CI,8CI);(2-Methoxyphenyl)methanamine;(o-Anisylmethyl)amine;1-(2-Methoxyphenyl)methanamine;1-[2-(Methyloxy)phenyl]methanamine;2-Methoxybenzenemethanamine;2-Methoxybenzylamine;2-Methoxyphenylmethylamine;o-Methoxybenzenemethanamine;o-Methoxybenzylamine;
EINECS: 229-941-7
Density: 1..0±0.1 g/cm3
Melting Point: 60 °C
Boiling Point: 228.993 °C at 760 mmHg
Flash Point: 100 °C
Solubility: slightly soluble in water
Appearance: Colorless to light yellow liquid
Hazard Symbols: IrritantXi,CorrosiveC
Risk Codes: 34-37
Safety: 26-36/37/39-45-27
Transport Information: UN 2735 8/PG 2
PSA: 35.25000
LogP: 1.85420
Synthetic route
6609-56-9

2-methoxy-benzonitrile

6850-57-3

2-methoxybenzylamine

Conditions
ConditionsYield
With ammonia; hydrogen In water; isopropyl alcohol at 100℃; under 15001.5 Torr; for 24h; Autoclave;99%
With C19H34Cl2CoN2P; hydrogen; sodium ethanolate; sodium triethylborohydride In benzene at 135℃; under 22502.3 Torr; for 36h; Autoclave;88%
With borane-ammonia complex; C15H30Cl2CoN3P In hexane at 50℃; for 16h; Sealed tube; Inert atmosphere; chemoselective reaction;88%
29577-53-5

2-Methoxy-benzaldehyde oxime

6850-57-3

2-methoxybenzylamine

Conditions
ConditionsYield
With (pyridine)(tetrahydroborato)zinc In tetrahydrofuran for 6h; Heating;95%
With sodium hydrogensulfate monohydrate; molybdenum(V) chloride; sodium cyanoborohydride In N,N-dimethyl-formamide for 1.1h; Reflux;95%
With lithium aluminium tetrahydride In tetrahydrofuran for 48h; Heating;6.3 g
With acetic acid; zinc at 60 - 70℃; for 1h;

N-trityl-2-methoxybenzylamine

6850-57-3

2-methoxybenzylamine

Conditions
ConditionsYield
With hydrogenchloride In ethanol Hydrolysis;95%
With ammonium cerium (IV) nitrate; water; acetic acid In dichloromethane at 20℃; for 13h; Inert atmosphere;
172372-20-2

2-(2-methoxybenzyl)isoindoline-1,3-dione

6850-57-3

2-methoxybenzylamine

Conditions
ConditionsYield
With hydrazine hydrate In ethanol for 2.5h; Inert atmosphere; Reflux;83%
612-16-8

(2-methoxyphenyl)methanol

6850-57-3

2-methoxybenzylamine

Conditions
ConditionsYield
With ammonia In toluene at 110℃; under 5250.53 Torr; for 20h;81%
Multi-step reaction with 2 steps
1: triphenylphosphine; diethylazodicarboxylate / toluene; tetrahydrofuran / 0 - 20 °C / Inert atmosphere
2: hydrazine hydrate / ethanol / 2.5 h / Inert atmosphere; Reflux
View Scheme
6609-56-9

2-methoxy-benzonitrile

A

6850-57-3

2-methoxybenzylamine

B

bis(2-methoxybenzyl)amine

Conditions
ConditionsYield
With sodium tetrahydroborate; nickel dichloride In ethanol at 20℃; for 0.0833333h;A 77%
B 6%
17608-09-2

1-(isothiocyanatomethyl)-2-methoxybenzene

6850-57-3

2-methoxybenzylamine

Conditions
ConditionsYield
With 3,4-dimercaptotoluene In methanol66%
135-02-4

ortho-anisaldehyde

6850-57-3

2-methoxybenzylamine

Conditions
ConditionsYield
With ammonia; nickel In methanol at 120℃; under 83600 Torr; Catalytic hydrogenation;62.4%
With methanol; ammonia; nickel under 58840.6 Torr; Hydrogenation;
With L-alanin; pyridoxal 5'-phosphate; halomonas elongatatransaminase W56G mutant In aq. phosphate buffer; dimethyl sulfoxide at 37℃; for 24h; pH=8; Reagent/catalyst; Enzymatic reaction;

sodium [(1,3-dioxoisoindolin-2-yl)methyl]trifluoroborate

578-57-4

2-bromoanisole

6850-57-3

2-methoxybenzylamine

Conditions
ConditionsYield
Stage #1: sodium [(1,3-dioxoisoindolin-2-yl)methyl]trifluoroborate; 2-bromoanisole With dicyclohexyl-(2',6'-dimethoxybiphenyl-2-yl)-phosphane; water; caesium carbonate; palladium diacetate In 1,4-dioxane at 95℃;
Stage #2: With hydrazine In 1,4-dioxane; methanol at 20℃; for 1h; Heating / reflux;
19%
67-56-1

methanol

63452-53-9

N-acetyl-2-methoxybenzylamine

6850-57-3

2-methoxybenzylamine

Conditions
ConditionsYield
With sodium hydroxide at 140 - 150℃;
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  • 2-Methoxybenzylamine CAS No.6850-57-3

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Specification

The 2-Methoxybenzylamine, with the CAS registry number 6850-57-3, is also known as (o-Anisylmethyl)amine. It belongs to the product categories of Anilines, Aromatic Amines and Nitro Compounds; Amine; Amines; C8; Nitrogen Compounds. Its EINECS number is 229-941-7. This chemical's molecular formula is C8H11NO and molecular weight is 137.18. What's more, its systematic name is 1-(2-Methoxyphenyl)methanamine.

Physical properties of 2-Methoxybenzylamine are: (1)ACD/LogP: 1.00±0.23; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.99; (4)ACD/LogD (pH 7.4): -0.73; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.54; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 35.25 Å2; (13)Index of Refraction: 1.533; (14)Molar Refractivity: 41.4±0.3 cm3; (15)Molar Volume: 133.4±3.0 cm3; (16)Polarizability: 16.4±0.5×10-24cm3; (17)Surface Tension: 37.3±3.0 dyne/cm; (18)Density: 1.0±0.1 g/cm3; (19)Flash Point: 100 °C; (20)Enthalpy of Vaporization: 46.6±3.0 kJ/mol; (21)Boiling Point: 228.993 °C at 760 mmHg; (22)Vapour Pressure: 0.1±0.4 mmHg at 25°C.

Preparation of 2-Methoxybenzylamine: this chemical can be prepared by 2-methoxy-benzyl isothiocyanate. This reaction will need reagent 4-methyl-1,2-benzenedithiol and solvent methanol. The yield is about 66%.

2-Methoxybenzylamine can be prepared by 2-methoxy-benzyl isothiocyanate

Uses of 2-Methoxybenzylamine: it can be used to produce N-(2-methoxybenzyl)nonanamide. It will need reagent Et3N. The yield is about 61%.

2-Methoxybenzylamine can be used to produce N-(2-methoxybenzyl)nonanamide

When you are using this chemical, please be cautious about it as the following:
This chemical can cause burns. It is irritating to respiratory system. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. You must take off immediately all contaminated clothing. When using it, you need wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell, you should seek medical advice immediately (show label where possible).

You can still convert the following datas into molecular structure:
(1)SMILES: COC1=CC=CC=C1CN
(2)Std. InChI: InChI=1S/C8H11NO/c1-10-8-5-3-2-4-7(8)6-9/h2-5H,6,9H2,1H3
(3)Std. InChIKey: PXJACNDVRNAFHD-UHFFFAOYSA-N