4-Benzyloxyaniline hydrochloride

Base Information

• Chemical Name: 4-Benzyloxyaniline hydrochloride
• CAS No.: 51388-20-6
• Molecular Formula: C13H13NO^.HCl
• Molecular Weight: 235.713
• Hs Code.: 29222900
• European Community (EC) Number: 257-170-6
• DSSTox Substance ID: DTXSID20199389
• Mol file: 51388-20-6.mol

Synonyms:4-Benzyloxyaniline hydrochloride;51388-20-6;4-(Benzyloxy)aniline hydrochloride;4-Benzyloxyaniline HCl;Benzenamine, 4-(phenylmethoxy)-, hydrochloride;4-Benzyloxyaniline, HCl;4-phenylmethoxyaniline;hydrochloride;MFCD00012995;EINECS 257-170-6;AI3-52569;4-(phenylmethoxy)aniline hydrochloride;[4-(benzyloxy)phenyl]amine hydrochloride;SCHEMBL371743;4-Benzyloxyanilinehydrochloride;p-benzyloxyaniline hydrochloride;DTXSID20199389;KQBDLOVXZHOAJI-UHFFFAOYSA-N;p-(Benzyloxy)aniline hydrochloride;4-Benzyloxy-phenylamine hydrochloride;4-benzyloxyaniline hydrochloride salt;AC7908;AKOS005287354;CS-W014671;PS-7655;4-Aminophenyl benzyl ether hydrochloride;4-Benzyloxyaniline hydrochloric acid salt;4-(Benzyloxy)aniline hydrochloride, 98%;4-[(Phenylmethyl)oxy]aniline hydrochloride;AM20060650;FT-0617659;FT-0617660;EN300-16806;B-1400;A828565;SR-01000597195;SR-01000597195-1;F0850-6734

Chemical Property of 4-Benzyloxyaniline hydrochloride

Chemical Property:

• Appearance/Colour: brownish crystalline powder
• Vapor Pressure: 2.68E-05mmHg at 25°C
• Melting Point: 228 °C (dec.)(lit.)
• Boiling Point: 357.7 °C at 760 mmHg
• Flash Point: 180.4 °C
• PSA: 35.25000
• Density: 1.129 g/cm³
• LogP: 4.23100
• Storage Temp.: Store below +30°C.
• Solubility.: Slightly soluble in water insoluble in ether sparingly soluble in methanol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 235.0763918
• Heavy Atom Count: 16
• Complexity: 169

Purity/Quality:

99% ^*data from raw suppliers

4-(Benzyloxy)aniline hydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36-36/37

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC=C(C=C1)COC2=CC=C(C=C2)N.Cl
• Uses: 4-(benzyloxy)aniline hydrochloride can be used in chemical synthesis studies.

Technology Process of 4-Benzyloxyaniline hydrochloride

There total 8 articles about 4-Benzyloxyaniline hydrochloride 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: 94.0%

4-nitro-phenol (100-02-7,78813-13-5,89830-32-0) + benzyl bromide (100-39-0) → 4-benzyloxyaniline hydrochloride (51388-20-6)

Guidance literature:

With potassium carbonate; In ethanol;

Reference yield: 91.0%

benzyl 4-nitrophenyl ether (1145-76-2) → 4-benzyloxyaniline hydrochloride (51388-20-6)

Guidance literature:

With hydrogenchloride; tin(II) chloride dihdyrate; In ethanol; at 80 ℃; for 9h;

DOI:10.1016/j.bioorg.2021.105172

Reference yield: 63.0%

benzyl bromide (100-39-0) + 4-amino-phenol (123-30-8) → 4-benzyloxyaniline hydrochloride (51388-20-6)

Guidance literature:

benzyl bromide; 4-amino-phenol; With potassium tert-butylate; In N,N-dimethyl-formamide; at 0 - 20 ℃;

With hydrogenchloride; In 1,4-dioxane;

DOI:10.1021/acs.jmedchem.0c02042

upstream raw materials:

4-nitro-phenol

benzyl bromide

benzyl 4-nitrophenyl ether

N-[4-(benzyloxy)phenyl]acetamide

Downstream raw materials:

Diethylmesoxalat-4-benzyloxyphenylhydrazon

N-(2-hydroxyethyl)-4-benzyloxyaniline

4-benzyloxyphenyl isothiocyanate

[2-(4-Benzyloxy-phenylcarbamoyl)-ethyl]-carbamic acid tert-butyl ester

Refernces

• 1、 Kühl, Nikos,Leuthold, Mila M.,Behnam, Mira A. M.,Klein, Christian D.. "Beyond Basicity: Discovery of Nonbasic DENV-2 Protease Inhibitors with Potent Activity in Cell Culture". supporting information. p. 4567 - 4587. Retrieved 2021/05/06.
• 2、 De Noronha, Rita G.,Romao, Carlos C.,Fernandes, Ana C.. "Highly chemo- and regioselective reduction of aromatic nitro compounds using the system silane/oxo-rhenium complexes". supporting information; experimental part. p. 6960 - 6964. Retrieved 2010/03/03.