4-[(2-Chlorobenzyl)oxy]aniline

Base Information

• Chemical Name: 4-[(2-Chlorobenzyl)oxy]aniline
• CAS No.: 21116-13-2
• Molecular Formula: C13H12 Cl N O
• Molecular Weight: 233.697
• Hs Code.: 2922199090
• DSSTox Substance ID: DTXSID90352646
• Wikidata: Q82129899
• Mol file: 21116-13-2.mol

Synonyms:4-[(2-chlorobenzyl)oxy]aniline;21116-13-2;4-[(2-chlorophenyl)methoxy]aniline;4-((2-Chlorobenzyl)oxy)aniline;Oprea1_284153;Oprea1_865378;4-(2-chlorobenzyloxy)aniline;SCHEMBL11093923;DTXSID90352646;HMS1613L01;WAA11613;BBL025668;STK946112;AKOS000152039;CCG-112196;SB81085;VS-08044;BB 0217770;CS-0116577;FT-0677202;EN300-58396;BRD-K34331147-001-01-6

Chemical Property of 4-[(2-Chlorobenzyl)oxy]aniline

Chemical Property:

• Vapor Pressure: 3.6E-06mmHg at 25°C
• Melting Point: 48-50 °C
• Boiling Point: 386.2°C at 760 mmHg
• PKA: 5.02±0.10(Predicted)
• Flash Point: 187.4°C
• PSA: 35.25000
• Density: 1.24g/cm³
• LogP: 4.08240
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 233.0607417
• Heavy Atom Count: 16
• Complexity: 204

Purity/Quality:

98%min ^*data from raw suppliers

4-[(2-Chlorobenzyl)oxy]aniline ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)COC2=CC=C(C=C2)N)Cl

Technology Process of 4-[(2-Chlorobenzyl)oxy]aniline

There total 13 articles about 4-[(2-Chlorobenzyl)oxy]aniline 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: 92.0%

N-tertbutoxycarbonyl-(4-((2-chlorobenzyl)oxy)phenyl)amine (1416442-69-7) → 4-(2-chlorobenzoxy)phenyl amine (21116-13-2)

Guidance literature:

With chloro-trimethyl-silane; In methanol; at 20 ℃;

DOI:10.1021/acs.biochem.8b00162

Reference yield: 90.0%

2-chlorobenzyl-4-nitrophenyl ether (56532-65-1) → 4-(2-chlorobenzoxy)phenyl amine (21116-13-2)

Guidance literature:

With palladium on activated charcoal; hydrogen; In methanol; ethanol; at 20 ℃; for 0.75h; under 7500.75 Torr;

DOI:10.1002/jhet.2222

Reference yield:

N-(4-((2-chlorobenzyl)oxy)phenyl)-O-pivaloylhydroxylamine (1421229-81-3) → 4-(2-chlorobenzoxy)phenyl amine (21116-13-2)

Guidance literature:

With trifluoroacetic acid; In dichloromethane; at 20 ℃; for 3h;

upstream raw materials:

4-((pivaloyloxy)amino)phenol

1-bromomethyl-2-chlorobenzene

N-tertbutoxycarbonyl-(4-((2-chlorobenzyl)oxy)phenyl)amine

N-(4-((2-chlorobenzyl)oxy)phenyl)-O-pivaloylhydroxylamine

Downstream raw materials:

2-Chloro-3-[4-(2-chloro-benzyloxy)-phenyl]-propionic acid ethyl ester

N-(5′-deoxy-α-thymidin-5′-yl)-N′-[4-(2-chlorobenzyloxy)-phenyl]urea

N-(5'-deoxy-thymidin-5'-yl)-N'-(4-(2-chlorobenzyloxy)phenyl)urea

C₁₄H₁₀ClNO₂

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