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CAS No.: | 103-67-3 |
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Name: | N-Methylbenzylamine |
Article Data: | 320 |
Molecular Structure: | |
Formula: | C8H11N |
Molecular Weight: | 121.182 |
Synonyms: | Benzylamine,N-methyl- (8CI);Benzylmethylamine;N-(Phenylmethyl)methylamine;N-Benzyl-N-methylamine;N-Benzylmethylamine;N-Methyl-1-phenylmethanamine;N-Methyl-N-(phenylmethyl)amine;N-Methyl-N-benzylamine;N-Methylbenzenemethanamine;NSC 8059; |
EINECS: | 203-133-4 |
Density: | 0.939 g/mL at 25 °C(lit.) |
Melting Point: | -24 °C |
Boiling Point: | 180.5 °C at 760 mmHg |
Flash Point: | 77.8 °C |
Solubility: | Water: 65 g/L (20°C ) |
Appearance: | Colorless to light yellow liquid |
Hazard Symbols: | C |
Risk Codes: | 34-42/43-22 |
Safety: | 23-26-36/37/39-45 |
Transport Information: | UN 2735 8/PG 2 |
PSA: | 12.03000 |
LogP: | 1.79690 |
Conditions | Yield |
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With poly(p-aminostyrene)-palladium(II); hydrogen In N,N-dimethyl-formamide at 25℃; under 760 Torr; | 100% |
With potassium hydroxide; isopropyl alcohol; chelating Rh(III) bis-carbene for 18h; Heating; | 98% |
With bis(pentamethylcyclopentadienyl)zinc; hydrogen; 1,3-bis-(2,6-diisopropylphenyl)-imidazol-2-ylidene In benzene-d6 at 25℃; under 51005.1 Torr; for 24h; Reagent/catalyst; Inert atmosphere; | 98% |
N-allyloxycarbonyl-N-methylbenzylamine
benzyl-methyl-amine
Conditions | Yield |
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With diethylamine; palladium diacetate; trisodium tris(3-sulfophenyl)phosphine In water for 0.25h; Ambient temperature; | 100% |
With 1,3-dimethylbarbituric acid; tetrakis(triphenylphosphine) palladium(0) In dichloromethane at 20℃; deallylation; | 100 % Chromat. |
Conditions | Yield |
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With Thiosalicylic acid; 1,4-di(diphenylphosphino)-butane; bis(dibenzylideneacetone)-palladium(0) In tetrahydrofuran at 20℃; for 0.416667h; | 100% |
With Thiosalicylic acid; 1,4-di(diphenylphosphino)-butane; bis(dibenzylideneacetone)-palladium(0) In tetrahydrofuran at 20℃; for 0.416667h; | 100% |
With 1,3-bis[(diphenylphosphino)propane]dichloronickel(II); diisobutylaluminium hydride In toluene for 1h; Ambient temperature; | 84% |
Grubbs catalyst first generation In toluene at 110℃; for 1.5h; | 78% |
Grubbs catalyst first generation In toluene for 1.5h; Heating; | 78% |
(N-benzyl, N-methyl) 2,4-dinitrophenylsulfonamide
A
S-(2,4-Dinitrophenyl)-cystein
B
sulfur dioxide
C
benzyl-methyl-amine
Conditions | Yield |
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In aq. phosphate buffer for 0.5h; pH=7.4; | A n/a B 100% C n/a |
Benzyl isocyanide
benzyl-methyl-amine
Conditions | Yield |
---|---|
With Zr12(μ3-O)5[(μ3-O)CoCl]8[(μ2-O)2(μ3-O)CoCl]3Li3(triphenyldicarboxylate)9; hydrogen In toluene at 110℃; under 30003 Torr; for 42h; Catalytic behavior; Inert atmosphere; Schlenk technique; | 100% |
(N-benzyl-N-methylamino)acetonitrile
benzyl-methyl-amine
Conditions | Yield |
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With hydrogen; platinum(IV) oxide In ethanol | 98% |
benzyl-methyl-amine
Conditions | Yield |
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With potassium carbonate; mercaptoacetic acid In methanol at 0 - 25℃; Inert atmosphere; chemoselective reaction; | 98% |
methyl N-benzyl,N-methyl carbamate
benzyl-methyl-amine
Conditions | Yield |
---|---|
Stage #1: methyl N-benzyl,N-methyl carbamate With 3-azapentane-1,5-diamine at 140℃; for 48h; Sealed tube; Stage #2: With hydrogenchloride In diethyl ether at 0 - 20℃; | 98% |
Conditions | Yield |
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Stage #1: benzaldehyde; methylamine In methanol at 20℃; Stage #2: With sodium tetrahydroborate In methanol for 6h; | 96.6% |
Stage #1: benzaldehyde; methylamine With titanium(IV) isopropylate In methanol at 20℃; for 5h; Stage #2: With sodium tetrahydroborate In methanol at 20℃; for 2h; | 92% |
With copper chromium spinel oxide; hydrogen; barium(II) oxide at 130℃; under 37503 Torr; for 1h; | 62% |
N-allyloxycarbonyl-N-methylbenzylamine
A
N-allyl-N-α-methylbenzylamine
B
benzyl-methyl-amine
Conditions | Yield |
---|---|
With diethylamine; palladium diacetate; trisodium tris(3-sulfophenyl)phosphine In water at 20℃; for 0.0833333h; | A n/a B 96% |
With diethylamine; palladium diacetate; trisodium tris(3-sulfophenyl)phosphine In water; acetonitrile for 0.0833333h; Ambient temperature; | A 70% B 30% |
With tetrabutylammonium borohydride; tetrakis(triphenylphosphine) palladium(0) In dichloromethane at 20℃; Product distribution; Further Variations:; Reagents; Decarboxylation; substitution; |
The N-Methylbenzylamine with CAS registry number of 103-67-3 is also known as Benzenemethanamine,N-methyl-. The IUPAC name is N-Methyl-1-phenylmethanamine. It belongs to product categories of Pharmaceutical Intermediates; Amine. Its EINECS registry number is 203-133-4. In addition, the formula is C8H11N and the molecular weight is 121.18. This chemical is a colorless to light yellow liquid that soluble in organic solvents. Besides, it may destroy living tissue on contact and should be sealed in ventilated, cool place away from fire, heat, oxidants. What's more, this chemical is used as pharmaceutical or dye intermediate and organic solvent.
Physical properties about N-Methylbenzylamine are: (1)ACD/LogP: 1.52; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.55; (4)ACD/LogD (pH 7.4): -0.76; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.513; (13)Molar Refractivity: 39.39 cm3; (14)Molar Volume: 131 cm3; (15)Surface Tension: 32 dyne/cm; (16)Density: 0.924 g/cm3; (17)Flash Point: 77.8 °C; (18)Enthalpy of Vaporization: 41.68 kJ/mol; (19)Boiling Point: 180.5 °C at 760 mmHg; (20)Vapour Pressure: 0.893 mmHg at 25 °C.
Preparation of N-Methylbenzylamine: it is prepared by reaction of benzyl chloride and trimethylamine with solvent benzene. Firstly, trimethylamine and benzene are added into reactor. When benzyl chloride has dropped into the reactor, the raction mixture is heated to 45 °C for 4 hours. Then sodium hydroxide is added and reaction occurs for another 1 hour. At last, product is obtained by collecting distillate at 75-130 °C (2.0-6.67kPa).
Uses of N-Methylbenzylamine: it is used to produce N-benzyl-N-methyl-acetamide by acetylation reaction with acetic acid. The reaction occurs with reagents 1,8-bis(dimethylaminonaphthalene), (EtO)2PO-N(Ph)-SO2CF3 and solvent CH2Cl2 for 1 hour. The yield is about 96%.
When you are using this chemical, please be cautious about it. As a chemical, it is harmful if swallowed and it may cause sensitisation by inhalation and skin contact. Besides, it can cause burns. During using it, wear suitable protective clothing, gloves and eye/face protection. Do not breathe gas/fumes/vapour/spray. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice. In case of accident or if you feel unwell seek medical advice immediately.
You can still convert the following datas into molecular structure:
1. Canonical SMILES: CNCC1=CC=CC=C1
2. InChI: InChI=1S/C8H11N/c1-9-7-8-5-3-2-4-6-8/h2-6,9H,7H2,1H3
3. InChIKey: RIWRFSMVIUAEBX-UHFFFAOYSA-N