2-(2,5-dimethyl-1H-pyrrol-1-yl)aniline

Base Information

• Chemical Name: 2-(2,5-dimethyl-1H-pyrrol-1-yl)aniline
• CAS No.: 2405-01-8
• Molecular Formula: C12H14 N2
• Molecular Weight: 186.257
• Hs Code.: 2933990090
• European Community (EC) Number: 675-773-6
• DSSTox Substance ID: DTXSID90353259
• Nikkaji Number: J814.851A
• Wikidata: Q82130735
• ChEMBL ID: CHEMBL1308118
• Mol file: 2405-01-8.mol

Synonyms:2405-01-8;2-(2,5-dimethyl-1H-pyrrol-1-yl)aniline;2-(2,5-Dimethyl-1H-pyrrol-1-yl)phenylamine;2-(2,5-dimethylpyrrol-1-yl)aniline;Pyrrole, 1-(o-aminophenyl)-2,5-dimethyl-;2-(2,5-Dimethyl-pyrrol-1-yl)-phenylamine;Oprea1_347459;Oprea1_514868;MLS000527133;SCHEMBL2976296;CHEMBL1308118;DTXSID90353259;CAA40501;MFCD01860278;STK204985;AKOS000104834;CCG-106262;SB62354;SMR000117607;BB 0217845;FT-0608408;2-(2,5-dimethyl-1h-pyrrol-1-yl)benzenamine;1R-0166;AM-879/25023005;SR-01000430245;J-505494;SR-01000430245-1;2-(2,5-dimethyl-1H-pyrrol-1-yl)phenylamine, AldrichCPR

Chemical Property of 2-(2,5-dimethyl-1H-pyrrol-1-yl)aniline

Chemical Property:

• Vapor Pressure: 0.000118mmHg at 25°C
• Melting Point: 79-81°C
• Boiling Point: 335.6°Cat760mmHg
• Flash Point: 156.8°C
• PSA: 30.95000
• Density: 1.06g/cm³
• LogP: 3.25750
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 186.115698455
• Heavy Atom Count: 14
• Complexity: 183

Purity/Quality:

98%Min ^*data from raw suppliers

2-(2,5-Dimethylpyrrol-1-yl)aniline ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi,Xn
• Statements: 22-41
• Safety Statements: 26-39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(N1C2=CC=CC=C2N)C

Technology Process of 2-(2,5-dimethyl-1H-pyrrol-1-yl)aniline

There total 8 articles about 2-(2,5-dimethyl-1H-pyrrol-1-yl)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: 95.0%

2,5-hexanedione (110-13-4) + 1,2-diamino-benzene (95-54-5) → 2-(2,5-dimethyl-1H-pyrrol-1-yl)benzenamine (2405-01-8)

Guidance literature:

With zirconyl chloride octahydrate; urea; at 20 ℃; for 0.25h; Green chemistry;

DOI:10.1007/s10562-018-2414-4

Reference yield: 94.0%

→ 2-(2,5-dimethyl-1H-pyrrol-1-yl)benzenamine (2405-01-8)

Guidance literature:

With Hf/SBA-15⁽²⁰⁾; at 150 ℃; for 6h; Inert atmosphere;

Reference yield: 80.0%

2,5-hexanedione (110-13-4) + 1,2-diamino-benzene (95-54-5) → 2-(2,5-dimethyl-1H-pyrrol-1-yl)benzenamine (2405-01-8) + 2,5-dimethyl-1-(2-(2,5-dimethyl-1H-pyrrol-1-yl)phenyl)-1Hpyrrole (2405-02-9)

Guidance literature:

With citric acid; for 0.25h; Milling;

DOI:10.1002/ejoc.201501223

upstream raw materials:

2,5-hexanedione

1,2-diamino-benzene

toluene

benzene

Downstream raw materials:

1-(o-acetamidophenyl)-2,5-dimethylpyrrole

N-(2-(2,5-dimethyl-1H-pyrrol-1-yl)phenyl)-2-phenylbutanamide