3-(Benzyloxy)-4-methylaniline

Base Information

• Chemical Name: 3-(Benzyloxy)-4-methylaniline
• CAS No.: 219492-12-3
• Molecular Formula: C₁₄H₁₅NO
• Molecular Weight: 213.279
• Hs Code.: 2922199090
• European Community (EC) Number: 692-209-4
• DSSTox Substance ID: DTXSID10383270
• Nikkaji Number: J3.362.878A
• Wikidata: Q82174936
• Mol file: 219492-12-3.mol

Synonyms:3-(Benzyloxy)-4-methylaniline;219492-12-3;4-methyl-3-phenylmethoxyaniline;3-(Benzyloxy)-4-methylphenylamine;3-Benzyloxy-4-methyl-phenylamine;3-Benzyloxy-4-methyl-aniline;3-benzyloxy-4-methylaniline;SCHEMBL3185340;DTXSID10383270;TZWRMTAIHRIAFC-UHFFFAOYSA-N;MFCD04973042;AKOS009546655;FS-5309;SB78988;CS-0153555;FT-0602688;D71195;A815775;J-803037

Chemical Property of 3-(Benzyloxy)-4-methylaniline

Chemical Property:

• Vapor Pressure: 1.2E-05mmHg at 25°C
• Refractive Index: 1.606
• Boiling Point: 369.3 °C at 760 mmHg
• Flash Point: 184.1 °C
• PSA: 35.25000
• Density: 1.106g/cm³
• LogP: 3.73740
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 213.115364102
• Heavy Atom Count: 16
• Complexity: 201

Purity/Quality:

97% ^*data from raw suppliers

3-Benzyloxy-4-methyl-phenylamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R36/37/38:Irritating to eyes, respiratory system and skin.
• Hazard Codes: Xi:Irritant
• Statements: R36/37/38:Irritating to eyes, respiratory system and skin.
• Safety Statements: S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S37/39:Wear suitable g

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=C(C=C1)N)OCC2=CC=CC=C2

Technology Process of 3-(Benzyloxy)-4-methylaniline

There total 5 articles about 3-(Benzyloxy)-4-methylaniline which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 100.0%

2-(benzyloxy)-1-methyl-4-nitrobenzene (219492-11-2) → 3-(benzyloxy)-4-methylaniline (219492-12-3)

Guidance literature:

With iron; acetic acid; at 45 ℃; for 4h; Inert atmosphere;

DOI:10.1002/chem.201301792

Reference yield:

aqueous sodium chloride + 2-(benzyloxy)-1-methyl-4-nitrobenzene (219492-11-2) + nickel(II) acetate tetrahydrate (6018-89-9) → 3-(benzyloxy)-4-methylaniline (219492-12-3)

Guidance literature:

With sodium borohydrid; In tetrahydrofuran; methanol;

Reference yield:

2-methyl-5-nitrophenol (5428-54-6) → 3-(benzyloxy)-4-methylaniline (219492-12-3)

Guidance literature:

Multi-step reaction with 2 steps

1: K₂CO₃; acetone

2: tin (II)-chloride; aq.-ethanolic hydrochloric acid

With hydrogenchloride; potassium carbonate; acetone; tin(ll) chloride;

upstream raw materials:

2-(benzyloxy)-1-methyl-4-nitrobenzene

2-methyl-5-nitrophenol

benzyl chloride

nickel(II) acetate tetrahydrate

Downstream raw materials:

girinimbine

3',3'-dimethylpyrano[3,2-a]carbazole-3-carbaldehyde

mahanimbine

mahanimbidine