Cas no 80936-82-9 (4-(Methoxymethyl)aniline)

4-(Methoxymethyl)aniline structure
4-(Methoxymethyl)aniline structure
Product Name:4-(Methoxymethyl)aniline
CAS No:80936-82-9
MF:C8H11NO
MW:137.179042100906
MDL:MFCD06804487
CID:707921
PubChem ID:15212002
Update Time:2024-10-27

4-(Methoxymethyl)aniline Chemical and Physical Properties

Names and Identifiers

    • 4-(Methoxymethyl)aniline
    • 4-(methoxymethyl)benzenamine
    • Benzenamine,4-(methoxymethyl)-
    • 4-(Methoxymethyl)benzenamine (ACI)
    • p-Toluidine, α-methoxy- (6CI)
    • 4-Aminobenzyl methyl ether
    • 4-Methoxymethylaniline
    • 4-Methoxymethylphenylamine
    • MFCD06804487
    • [4-(methoxymethyl)phenyl]amine
    • EN300-119849
    • SCHEMBL513260
    • Z240084568
    • DTXSID50570102
    • SY003771
    • SCHEMBL3509980
    • BBL030690
    • XH1344
    • 4-(methoxymethyl)aniline, AldrichCPR
    • AKOS000111564
    • 80936-82-9
    • CS-0150192
    • DS-17520
    • DB-018686
    • STL368234
    • Benzenamine, 4-(methoxymethyl)-
    • MDL： MFCD06804487
    • Inchi： 1S/C8H11NO/c1-10-6-7-2-4-8(9)5-3-7/h2-5H,6,9H2,1H3
    • InChI Key： URSADVDNUKPSIK-UHFFFAOYSA-N
    • SMILES： O(CC1C=CC(N)=CC=1)C

Computed Properties

  • Exact Mass: 137.08400
  • Monoisotopic Mass: 137.084063974g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 2
  • Complexity: 87.3
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: nothing
  • Topological Polar Surface Area: 35.2?2

Experimental Properties

  • Density: 1.048
  • Boiling Point: 224.9℃ at 760 mmHg
  • Flash Point: 93.539℃
  • Refractive Index: 1.551
  • PSA: 35.25000
  • LogP: 1.99640

4-(Methoxymethyl)aniline Security Information

  • Hazard Category Code： 22
  • Hazardous Material Identification： Xn

4-(Methoxymethyl)aniline Customs Data

  • HS CODE：2922199090
  • Customs Data：

    China Customs Code:

    2922199090

    Overview:

    2922199090. Other amino alcohols and their ethers,Esters and their salts(Except those containing more than one oxygen-containing group). VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to, The color of ethanolamine and its salt should be reported, The package of ethanolamine and its salt shall be declared

    Summary:

    2922199090. other amino-alcohols, other than those containing more than one kind of oxygen function, their ethers and esters; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

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4-(Methoxymethyl)aniline Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Hydrogen Catalysts: Nickel (palladium bimetallic nanoparticle) ,  Palladium (Nickel bimetallic nanoparticle) Solvents: Methanol ;  90 min, rt
Reference
Chemoselective hydrogenation of nitrobenzyl ethers to aminobenzyl ethers catalyzed by palladium-nickel bimetallic nanoparticles
Chen, Wenwen; et al, Tetrahedron, 2015, 71(49), 9240-9244

Production Method 2

Reaction Conditions
1.1 Reagents: Hydrogen Catalysts: Palladium Solvents: Ethanol
Reference
Catalytic hydrogenation of aromatic nitro compounds over borohydride exchange resin supported palladium (BER-Pd) catalyst
Yoon, Nung Min; et al, Bulletin of the Korean Chemical Society, 1993, 14(2), 281-3

Production Method 3

Reaction Conditions
1.1 Reagents: Hydrogen Catalysts: Carbon ,  Palladium nitrate Solvents: Water ;  12 h, 1 atm, 60 °C
Reference
Controllable synthesis of a Pd/PdO nanocomposite as a catalyst for hydrogenation of nitroarenes to anilines in water
Yang, Fan; et al, RSC Advances, 2016, 6(58), 52620-52626

Production Method 4

Reaction Conditions
1.1 Reagents: Tetrabutylammonium fluoride Solvents: Tetrahydrofuran ;  12 h, 1 atm, reflux
Reference
Synergetic copper/TEMPO-catalysed benzylic C-H imidation with N-fluorobenzenesulfonimide at room temperature and tandem conversions with alcohols or arenes
Shao, Zhong; et al, Organic Chemistry Frontiers, 2021, 8(13), 3298-3307

Production Method 5

Reaction Conditions
1.1 Solvents: Water
Reference
Controlled masking and targeted release of redox-cycling ortho-quinones via a C-C bond-cleaving 1,6-elimination
Dunsmore, Lavinia ; et al, Nature Chemistry, 2022, 14(7), 754-765

Production Method 6

Reaction Conditions
1.1 Reagents: N-Fluorobenzenesulfonimide Catalysts: Tempo ,  Cuprous chloride Solvents: Acetonitrile ;  12 h, 1 atm, 25 °C
1.2 Reagents: Sodium carbonate Solvents: Water
1.3 Reagents: Potassium hydroxide Solvents: Methanol ;  4 h, 1 atm, 25 °C
2.1 Reagents: Tetrabutylammonium fluoride Solvents: Tetrahydrofuran ;  12 h, 1 atm, reflux
Reference
Synergetic copper/TEMPO-catalysed benzylic C-H imidation with N-fluorobenzenesulfonimide at room temperature and tandem conversions with alcohols or arenes
Shao, Zhong; et al, Organic Chemistry Frontiers, 2021, 8(13), 3298-3307

Production Method 7

Reaction Conditions
1.1 Reagents: Potassium hydroxide Solvents: Dimethyl sulfoxide ;  1.5 h, rt; 1 h, rt
2.1 Reagents: Iron ,  Sodium chloride Solvents: Water ;  30 min, reflux; 1 h, reflux; 2 h, reflux; cooled
Reference
Fluorescent perylene diimide rotaxanes: spectroscopic signatures of wheel-chromophore interactions
Baggerman, Jacob; et al, Chemistry - A European Journal, 2007, 13(4), 1291-1299

Production Method 8

Reaction Conditions
1.1 Catalysts: Tempo ,  Cuprous chloride Solvents: Acetonitrile ;  12 h, 1 atm, 25 °C
2.1 Reagents: Potassium hydroxide Solvents: Methanol ;  4 h, 1 atm, 25 °C
3.1 Reagents: Tetrabutylammonium fluoride Solvents: Tetrahydrofuran ;  12 h, 1 atm, reflux
Reference
Synergetic copper/TEMPO-catalysed benzylic C-H imidation with N-fluorobenzenesulfonimide at room temperature and tandem conversions with alcohols or arenes
Shao, Zhong; et al, Organic Chemistry Frontiers, 2021, 8(13), 3298-3307

Production Method 9

Reaction Conditions
Reference
Oxidation of aromatic compounds. I. Oxidation of methyl derivatives of nitrobenzene and aniline in the HSO3F-PbO2 system
Rudenko, A. P.; et al, Zhurnal Organicheskoi Khimii, 1995, 31(8), 1184-90

Production Method 10

Reaction Conditions
1.1 Reagents: Potassium hydroxide Solvents: Methanol ;  4 h, 1 atm, 25 °C
2.1 Reagents: Tetrabutylammonium fluoride Solvents: Tetrahydrofuran ;  12 h, 1 atm, reflux
Reference
Synergetic copper/TEMPO-catalysed benzylic C-H imidation with N-fluorobenzenesulfonimide at room temperature and tandem conversions with alcohols or arenes
Shao, Zhong; et al, Organic Chemistry Frontiers, 2021, 8(13), 3298-3307

Production Method 11

Reaction Conditions
1.1 Reagents: Potassium hydroxide Solvents: Methanol ;  4 h, 1 atm, 25 °C
2.1 Reagents: Tetrabutylammonium fluoride Solvents: Tetrahydrofuran ;  12 h, 1 atm, reflux
Reference
Synergetic copper/TEMPO-catalysed benzylic C-H imidation with N-fluorobenzenesulfonimide at room temperature and tandem conversions with alcohols or arenes
Shao, Zhong; et al, Organic Chemistry Frontiers, 2021, 8(13), 3298-3307

Production Method 12

Reaction Conditions
1.1 Reagents: Potassium carbonate Solvents: Acetone
1.2 Reagents: Sodium hydroxide
1.3 Solvents: Dichloromethane
2.1 Reagents: Indium ,  Ammonium chloride Solvents: Ethanol
2.2 Solvents: Water
2.3 Reagents: Sodium hydroxide
2.4 Solvents: Dichloromethane ,  Ethyl acetate
Reference
Indium metal as a reducing agent in organic synthesis
Pitts, Michael R.; et al, Journal of the Chemical Society, 2001, (9), 955-977

Production Method 13

Reaction Conditions
1.1 Reagents: Sodium bicarbonate Solvents: Tetrahydrofuran ;  15 min, 0 °C
1.2 0 °C; overnight, rt
1.3 Reagents: Ammonium chloride Solvents: Water
2.1 Reagents: N-Fluorobenzenesulfonimide Catalysts: Tempo ,  Cuprous chloride Solvents: Acetonitrile ;  12 h, 1 atm, 25 °C
2.2 Reagents: Sodium carbonate Solvents: Water
2.3 Reagents: Potassium hydroxide Solvents: Methanol ;  4 h, 1 atm, 25 °C
3.1 Reagents: Tetrabutylammonium fluoride Solvents: Tetrahydrofuran ;  12 h, 1 atm, reflux
Reference
Synergetic copper/TEMPO-catalysed benzylic C-H imidation with N-fluorobenzenesulfonimide at room temperature and tandem conversions with alcohols or arenes
Shao, Zhong; et al, Organic Chemistry Frontiers, 2021, 8(13), 3298-3307

Production Method 14

Reaction Conditions
1.1 Solvents: Methyl ethyl ketone
2.1 Reagents: Potassium carbonate Solvents: Acetone
2.2 Reagents: Sodium hydroxide
2.3 Solvents: Dichloromethane
3.1 Reagents: Indium ,  Ammonium chloride Solvents: Ethanol
3.2 Solvents: Water
3.3 Reagents: Sodium hydroxide
3.4 Solvents: Dichloromethane ,  Ethyl acetate
Reference
Indium metal as a reducing agent in organic synthesis
Pitts, Michael R.; et al, Journal of the Chemical Society, 2001, (9), 955-977

Production Method 15

Reaction Conditions
1.1 Catalysts: Tempo ,  Cuprous chloride Solvents: Acetonitrile ;  12 h, 1 atm, 25 °C
2.1 Reagents: Potassium hydroxide Solvents: Methanol ;  4 h, 1 atm, 25 °C
3.1 Reagents: Tetrabutylammonium fluoride Solvents: Tetrahydrofuran ;  12 h, 1 atm, reflux
Reference
Synergetic copper/TEMPO-catalysed benzylic C-H imidation with N-fluorobenzenesulfonimide at room temperature and tandem conversions with alcohols or arenes
Shao, Zhong; et al, Organic Chemistry Frontiers, 2021, 8(13), 3298-3307

Production Method 16

Reaction Conditions
1.1 Catalysts: Tempo ,  Cuprous chloride Solvents: Acetonitrile ;  12 h, 1 atm, 25 °C
2.1 Reagents: Potassium hydroxide Solvents: Methanol ;  4 h, 1 atm, 25 °C
3.1 Reagents: Tetrabutylammonium fluoride Solvents: Tetrahydrofuran ;  12 h, 1 atm, reflux
Reference
Synergetic copper/TEMPO-catalysed benzylic C-H imidation with N-fluorobenzenesulfonimide at room temperature and tandem conversions with alcohols or arenes
Shao, Zhong; et al, Organic Chemistry Frontiers, 2021, 8(13), 3298-3307

Production Method 17

Reaction Conditions
1.1 Reagents: Sodium bicarbonate Solvents: Tetrahydrofuran ;  15 min, 0 °C
1.2 0 °C; overnight, rt
1.3 Reagents: Ammonium chloride Solvents: Water
2.1 Catalysts: Tempo ,  Cuprous chloride Solvents: Acetonitrile ;  12 h, 1 atm, 25 °C
3.1 Reagents: Potassium hydroxide Solvents: Methanol ;  4 h, 1 atm, 25 °C
4.1 Reagents: Tetrabutylammonium fluoride Solvents: Tetrahydrofuran ;  12 h, 1 atm, reflux
Reference
Synergetic copper/TEMPO-catalysed benzylic C-H imidation with N-fluorobenzenesulfonimide at room temperature and tandem conversions with alcohols or arenes
Shao, Zhong; et al, Organic Chemistry Frontiers, 2021, 8(13), 3298-3307

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Amadis Chemical Company Limited
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(CAS:80936-82-9)4-(Methoxymethyl)aniline
Order Number:A864626
Stock Status:in Stock
Quantity:25g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 08:47
Price ($):279.0

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Amadis Chemical Company Limited
(CAS:80936-82-9)4-(Methoxymethyl)aniline
A864626
Purity:99%
Quantity:25g
Price ($):279.0
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