2-Benzyloxyaniline

Base Information

• Chemical Name: 2-Benzyloxyaniline
• CAS No.: 20012-63-9
• Molecular Formula: C13H13NO
• Molecular Weight: 199.252
• Hs Code.: 29221990
• European Community (EC) Number: 628-010-6
• NSC Number: 46882
• DSSTox Substance ID: DTXSID10286656
• Nikkaji Number: J1.278.316G
• Wikidata: Q72441743
• Mol file: 20012-63-9.mol

Synonyms:2-Benzyloxyaniline;2-(benzyloxy)aniline;20012-63-9;2-phenylmethoxyaniline;Benzenamine, 2-(phenylmethoxy)-;2-benzyloxy-phenylamine;MFCD03093873;2-Benzyloxyanilline;MJW;NSC46882;2-benzyloxy aniline;2-(Benzyloxy)-aniline;2-Benzyloxyaniline, 97%;3-amino-4-benzyloxybenzene;SCHEMBL292275;(2-phenylmethoxy-phenyl)-amine;DTXSID10286656;BBL100201;NSC 46882;NSC-46882;STK946070;AKOS000132746;AM62512;CS-W013204;PS-5794;SB35150;NCGC00320864-01;BP-20244;SY017992;B3796;FT-0662859;C13335;EN300-215606;AB00444002-03;A879887;J-508128;F0001-2717;Z239127480

Chemical Property of 2-Benzyloxyaniline

Chemical Property:

• Appearance/Colour: Brown solid
• Vapor Pressure: 6.02E-05mmHg at 25°C
• Melting Point: 35-39 °C(lit.)
• Refractive Index: 1.616
• Boiling Point: 345.773 °C at 760 mmHg
• PKA: 4.40±0.10(Predicted)
• Flash Point: 170.747 °C
• PSA: 35.25000
• Density: 1.129 g/cm³
• LogP: 3.42900
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• Solubility.: Chloroform (Slightly), Dichloromethane (Slightly), Ethyl Acetate (Slightly), Met
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 199.099714038
• Heavy Atom Count: 15
• Complexity: 177

Purity/Quality:

98% ^*data from raw suppliers

2-Benzyloxyaniline ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC=C(C=C1)COC2=CC=CC=C2N
• Uses: 2-Benzyloxyaniline was used to investigate crystal structure of benzyloxybenzoic acids and benzyloxyanilines by X-ray powder diffraction technique. It was also used in the synthesis of 2-benzyloxyphenylhydrazine.

Technology Process of 2-Benzyloxyaniline

There total 31 articles about 2-Benzyloxyaniline 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-benzyloxynitrobenzene (4560-41-2) → o-(benzyloxy)aniline (20012-63-9)

Guidance literature:

With sodium hydroxide; sodium tetrahydroborate; nickel dichloride; In hydrogenchloride; methanol;

Reference yield: 94.0%

((2-azidophenoxy)methyl)benzene (1206797-33-2) → o-(benzyloxy)aniline (20012-63-9)

Guidance literature:

With bis(N,N-diethyldithiocarbamato)dioxomolybdenum(VI); phenylsilane; In toluene; at 100 ℃; for 3h;

DOI:10.1016/j.tet.2009.10.093

Reference yield: 93.5%

2-(benzylideneamino)phenol (1624-53-9,3230-45-3,137838-23-4) + benzyl bromide (100-39-0) → o-(benzyloxy)aniline (20012-63-9)

Guidance literature:

2-(benzylideneamino)phenol; benzyl bromide; With potassium carbonate; In acetone; for 20h; Reflux;

With hydrogenchloride; In dichloromethane; water; for 1h;

DOI:10.3998/ark.5550190.0011.927

upstream raw materials:

2-benzyloxynitrobenzene

benzyl bromide

2-(acetylamino)phenol

2-(2-(benzyloxy)phenyl) isoindoline-1,3-dione

Downstream raw materials:

Diethylmesoxalat-2-benzyloxyphenylhydrazon

N-(2-benzyloxyphenyl)-β-alanine

benzyl alcohol

4-(3-methoxyphenyl)-1-(2-benzyloxyphenyl)piperidine-4-carbonitrile

Refernces

• 1、 Li, Yan,Fan, Wenjie,Gong, Qineng,Tian, Jie,Zhou, Mi,Li, Qing,Uwituze, Laura B.,Zhang, Zhichao,Hong, Ran,Wang, Renxiao. "Structure-Based Optimization of 3-Phenyl-N-(2-(3-phenylureido)ethyl)thiophene-2-sulfonamide Derivatives as Selective Mcl-1 Inhibitors". . p. 10260 - 10285. Retrieved 2021/07/26.
• 2、 Li, Zhen,Yu, Hao,Bolm, Carsten. "Dibenzothiophene Sulfoximine as an NH3 Surrogate in the Synthesis of Primary Amines by Copper-Catalyzed C?X and C?H Bond Amination". supporting information. p. 9532 - 9535. Retrieved 2017/08/01.