2-(2-Methylphenoxy)aniline

Base Information

• Chemical Name: 2-(2-Methylphenoxy)aniline
• CAS No.: 3840-18-4
• Molecular Formula: C13H13NO
• Molecular Weight: 199.252
• Hs Code.: 2922299090
• European Community (EC) Number: 223-329-3
• NSC Number: 163942
• UNII: L6Y9DB1FGI
• DSSTox Substance ID: DTXSID90191739
• Nikkaji Number: J60.195K
• Wikidata: Q72494551
• ChEMBL ID: CHEMBL1314101
• Mol file: 3840-18-4.mol

Synonyms:2-(2-Methylphenoxy)aniline;3840-18-4;2-(o-Tolyloxy)aniline;2-Amino-2'-methyldiphenyl ether;Benzenamine, 2-(2-methylphenoxy)-;ANILINE, 2-(o-TOLYLOXY)-;2-(o-Tolyloxy)-aniline;2-(o-tolyloxy)benzenamine;EINECS 223-329-3;L6Y9DB1FGI;Aniline,2-(o-tolyloxy)-;NSC 163942;BRN 2723291;MFCD00025167;NSC-163942;1-13-00-00109 (Beilstein Handbook Reference);2-Aminophenyl o-Tolyl Ether;NSC163942;O(c1ccccc1C)c2ccccc2N;UNII-L6Y9DB1FGI;WLN: ZR BOR B1;Oprea1_460977;MLS000723520;O-(O-TOLYLOXY)ANILINE;SCHEMBL395415;2'-methyl-2-aminodiphenylether;2-(2-Methylphenoxy)aniline #;CHEMBL1314101;JYJPXACGURQSCB-UHFFFAOYSA-;DTXSID90191739;2-Amino-2'-Methyl Diphenylether;HMS2627E13;ANILINE, O-(O-TOLYLOXY)-;AMY10481;AKOS000100462;2-(2-METHYLPHENOXY)BENZENAMINE;NCGC00245845-01;AS-57520;LS-19999;SMR000305115;A1008;BB 0259320;FT-0635032;D88365;EN300-7407266;A824137;SR-01000423538;SR-01000423538-1;W-109933

Chemical Property of 2-(2-Methylphenoxy)aniline

Chemical Property:

• Vapor Pressure: 0.00117mmHg at 25°C
• Refractive Index: 1.608
• Boiling Point: 299.728 °C at 760 mmHg
• PKA: 4.00±0.10(Predicted)
• Flash Point: 133.281 °C
• PSA: 35.25000
• Density: 1.116 g/cm³
• LogP: 3.95070
• Storage Temp.: 2-8°C
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 199.099714038
• Heavy Atom Count: 15
• Complexity: 195

Purity/Quality:

98%, ^*data from raw suppliers

2-(2-Methylphenoxy)aniline ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1=CC=CC=C1OC2=CC=CC=C2N

Technology Process of 2-(2-Methylphenoxy)aniline

There total 7 articles about 2-(2-Methylphenoxy)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: 98.0%

1-methyl-2-(2-nitrophenoxy)benzene (54106-40-0) → 2-(o-tolyloxy)aniline (3840-18-4)

Guidance literature:

With hydrogenchloride; acetic acid; zinc; In water; ethyl acetate; at 0 - 20 ℃; for 0.5h;

DOI:10.1002/chem.201402961

Reference yield:

ortho-nitrofluorobenzene (1493-27-2,127723-77-7) → 2-(o-tolyloxy)aniline (3840-18-4)

Guidance literature:

Multi-step reaction with 2 steps

1.1: t-BuOK / tetrahydrofuran / 1 h

1.2: tetrahydrofuran

2.1: H₂ / Raney Ni / tetrahydrofuran

With potassium tert-butylate; hydrogen; nickel; In tetrahydrofuran;

DOI:10.1016/S0960-894X(01)00573-X

Reference yield:

ortho-cresol (95-48-7,77504-84-8) → 2-(o-tolyloxy)aniline (3840-18-4)

Guidance literature:

Multi-step reaction with 2 steps

1.1: t-BuOK / tetrahydrofuran / 1 h

1.2: tetrahydrofuran

2.1: H₂ / Raney Ni / tetrahydrofuran

With potassium tert-butylate; hydrogen; nickel; In tetrahydrofuran;

DOI:10.1016/S0960-894X(01)00573-X

upstream raw materials:

1-methyl-2-(2-nitrophenoxy)benzene

ortho-cresol

ortho-nitrofluorobenzene

potassium o-cresolate

Downstream raw materials:

4-amino-9H-xanthen-9-one

4-methylxanthen-9-one

(3R)-tert-butyl 3-(1-(2-(o-tolyloxy)phenyl)-1-hydroxy-5-methoxypentyl)piperidine-1-carboxylate

dichloro-(2-o-tolyloxy-phenyl)-arsine

Refernces

• 1、 Tietze, Lutz F.,Eichhorst, Christoph,Hungerland, Tim,Steinert, Markus. "A Fast Way to Fluorescence: A Fourfold Domino Reaction to Condensed Polycyclic Compounds". supporting information. p. 12553 - 12558. Retrieved 2016/08/25.
• 2、 Shahripour, Aurash B,Plummer, Mark S,Lunney, Elizabeth A,Sawyer, Tomi K,Stankovic, Charles J,Connolly, Michael K,Rubin, John R,Walker, Nigel P.C,Brady, Kenneth D,Allen, Hamish J,Talanian, Robert V,Wong, Winnie W,Humblet, Christine. "Structure-based design of caspase-1 inhibitor containing a diphenyl ether sulfonamide". . p. 2779 - 2782. Retrieved 2007/10/03.