2-Benzylaniline

Base Information

• Chemical Name: 2-Benzylaniline
• CAS No.: 28059-64-5
• Molecular Formula: C13H13N
• Molecular Weight: 183.253
• Hs Code.: 2921420090
• European Community (EC) Number: 248-806-3
• DSSTox Substance ID: DTXSID40182339
• Nikkaji Number: J250.640H
• Wikidata: Q72440687
• Mol file: 28059-64-5.mol

Synonyms:2-Benzylaniline;28059-64-5;Benzenamine, 2-(phenylmethyl)-;2-Aminodiphenylmethane;o-Aminodiphenylmethane;2-(phenylmethyl)benzenamine;EINECS 248-806-3;MFCD00007750;o-Benzylaniline;2-Benzyl-phenylamine;2-Amino-diphenylmethan;2-(phenylmethyl)aniline;alpha-phenyl-o-toluidine;alpha-phenyl-0-toluidine;2-Benzylaniline, >=99%;SCHEMBL542553;o-Toluidine, .alpha.-phenyl-;DTXSID40182339;AMY14513;AKOS000120298;CS-W017039;AS-15270;SY050672;2-Benzylaniline, purum, >=99.0% (NT);FT-0638752;EN300-20540;A819310;A851967;W-107078;Z104478692

Chemical Property of 2-Benzylaniline

Chemical Property:

• Vapor Pressure: 0.000553mmHg at 25°C
• Melting Point: 49-54 °C(lit.)
• Refractive Index: 1.616
• Boiling Point: 311.727 °C at 760 mmHg
• PKA: 4.29±0.10(Predicted)
• Flash Point: 159.695 °C
• PSA: 26.02000
• Density: 1.071 g/cm³
• LogP: 3.44080
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 183.104799419
• Heavy Atom Count: 14
• Complexity: 161

Purity/Quality:

99% ^*data from raw suppliers

2-Benzylaniline ^*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)CC2=CC=CC=C2N
• Uses: 2-Benzylaniline was used to study efficient and convenient heterogeneous palladium-catalyzed regioselective deuteration at the benzylic position.

Technology Process of 2-Benzylaniline

There total 47 articles about 2-Benzylaniline 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-nitrodiphenylmethane (5840-40-4) → 2-benzylaniline (28059-64-5)

Guidance literature:

With hydrazine hydrate; In methanol; at 20 ℃; for 2h;

DOI:10.1002/ejoc.201900745

Reference yield: 99.5%

2-amino-3'-chlorobenzophenone (57479-65-9) → 2-benzylaniline (28059-64-5)

Guidance literature:

With potassium hydroxide; In water; at 50 ℃; for 4h; Temperature;

Reference yield: 93.4%

2-aminobenzophenone hydrazone (39093-44-2) → 2-benzylaniline (28059-64-5)

Guidance literature:

With potassium hydroxide; In 2-methoxy-ethanol; at 60 ℃; Reagent/catalyst; Temperature; Solvent;

upstream raw materials:

2-nitrodiphenylmethane

2-methoxymethylaniline

(2-aminophenyl)(phenyl)methanone

2-azidophenyl(phenyl)methane

Downstream raw materials:

3'-O-acetyl-2'-deoxy-5'-O-(4,4'-dimethoxytrityl)-5-methyl-N⁴-(2-benzylphenyl)cytidine

acridine

9H-fluorene

1-diphenylmethyl-3-hydroxy-3-methylazetidine hydrochloride

Refernces

• 1、 Peng, Xiaopeng,Yang, Jianfeng,Qiu, Xinhua,Duan, Yuansheng,Bao, Zeqing,Chen, Jingfeng. "Synthesis of Dihydroanthracenes via Palladium-Catalyzed Tandem Mizoroki-Heck/Reductive Heck Reactions Using Cyclic Diaryliodoniums and Alkenes". supporting information. p. 636 - 640. Retrieved 2021/03/26.
• 2、 Zhu, Daqian,Li, Min,Wu, Zhouming,Du, Yongliang,Luo, Bingling,Huang, Peng,Wen, Shijun. "Copper-Catalyzed One-Pot Synthesis of Dibenzofurans, Xanthenes, and Xanthones from Cyclic Diphenyl Iodoniums". supporting information. p. 4566 - 4571. Retrieved 2019/07/09.