5-(Benzyloxy)-2,4-dichloroaniline

Base Information

• Chemical Name: 5-(Benzyloxy)-2,4-dichloroaniline
• CAS No.: 338960-25-1
• Molecular Formula: C13H11Cl2NO
• Molecular Weight: 268.142
• Hs Code.: 2922199090
• DSSTox Substance ID: DTXSID00377269
• Wikidata: Q82166430
• Mol file: 338960-25-1.mol

Synonyms:5-(benzyloxy)-2,4-dichloroaniline;338960-25-1;2,4-dichloro-5-phenylmethoxyaniline;Oprea1_387181;SCHEMBL2565901;5-benzyloxy-2,4-dichloroaniline;DTXSID00377269;OUOCSSKTOYFHRE-UHFFFAOYSA-N;5-Benzyloxy-2,4-dichlorophenylamine;MFCD00974417;5-Benzyloxy-2,4-dichloro-phenylamine;AKOS005070661;5L-301S;SB81447;CS-0360593;FT-0680453;J-019363;J-516286

Chemical Property of 5-(Benzyloxy)-2,4-dichloroaniline

Chemical Property:

• Melting Point: 102-105oC
• PSA: 35.25000
• LogP: 4.73580
• XLogP3: 4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 267.0217694
• Heavy Atom Count: 17
• Complexity: 234

Purity/Quality:

97% ^*data from raw suppliers

5-(Benzyloxy)-2,4-dichloroaniline >95% ^*data from reagent suppliers

Safty Information:

• Statements: 20/21/22
• Safety Statements: 22-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 5-(Benzyloxy)-2,4-dichloroaniline

There total 1 articles about 5-(Benzyloxy)-2,4-dichloroaniline 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: 96.0%

1-benzyloxy-2,4-dichloro-5-nitrobenzene (114109-50-1) → 1-benzyloxy-2,4-dichlorophenylamine (338960-25-1)

Guidance literature:

With water; iron; acetic acid; at 85 ℃; for 1.5h;

Reference yield: 90.0%

1-benzyloxy-2,4-dichlorophenylamine (338960-25-1) → 1-benzyloxy-2,4-dichloro-5-iodobenzene (847560-51-4)

Guidance literature:

1-benzyloxy-2,4-dichlorophenylamine; With hydrogenchloride; acetic acid; sodium nitrite; In water; at 5 ℃; for 0.5h;

With iodine; potassium iodide; In water; for 1.5h;

Reference yield:

1-benzyloxy-2,4-dichlorophenylamine (338960-25-1) → C26H33Cl2N5O2SSi

Guidance literature:

Multi-step reaction with 5 steps

1.1: hydrogenchloride; sodium nitrite / water; acetic acid / 0.5 h / 5 °C

1.2: 1.5 h

2.1: boron trichloride / dichloromethane / 0 - 20 °C

3.1: caesium carbonate / N,N-dimethyl-formamide / 3 h / 110 °C / Inert atmosphere

4.1: n-butyllithium; Triisopropyl borate / hexane; tetrahydrofuran / -78 °C / Inert atmosphere

5.1: bis-triphenylphosphine-palladium(II) chloride; sodium hydrogencarbonate / N,N-dimethyl-formamide / 2 h / 80 °C / Inert atmosphere

With hydrogenchloride; bis-triphenylphosphine-palladium(II) chloride; n-butyllithium; Triisopropyl borate; boron trichloride; sodium hydrogencarbonate; caesium carbonate; sodium nitrite; In tetrahydrofuran; hexane; dichloromethane; water; acetic acid; N,N-dimethyl-formamide;

DOI:10.1016/j.bmc.2012.08.050

upstream raw materials:

1-benzyloxy-2,4-dichloro-5-nitrobenzene

Downstream raw materials:

1-benzyloxy-2,4-dichloro-5-iodobenzene

1-[2-(2,4-dichloro-5-iodophenoxy)ethyl]pyrrolidine

2,4-dichloro-5-iodophenol

2,4-dichloro-5-iodo-1-methoxybenzene

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