N-Ethyl-p-toluidine

Base Information

• Chemical Name: N-Ethyl-p-toluidine
• CAS No.: 622-57-1
• Molecular Formula: C9H13N
• Molecular Weight: 135.209
• European Community (EC) Number: 210-742-9
• NSC Number: 8889
• UN Number: 2754
• UNII: W991US1LF2
• DSSTox Substance ID: DTXSID7060754
• Nikkaji Number: J47.803B
• Wikidata: Q63391562
• Mol file: 622-57-1.mol

Synonyms:N-Ethyl-p-toluidine;N-Ethyl-4-methylaniline;622-57-1;N-Ethyl-4-toluidine;N-Ethyl-p-methylaniline;p-Methyl-N-ethylaniline;p-Toluidine, N-ethyl-;BENZENAMINE, N-ETHYL-4-METHYL-;N-ethyl-4-methyl-aniline;NSC 8889;W991US1LF2;NSC-8889;EINECS 210-742-9;NSC8889;N-Athyl-p-toluidin;4-(Ethylamino)toluene;UNII-W991US1LF2;N-Ethyl-4-methyl-benzenamine;N-ETHYL-PARA-TOLUIDINE;SCHEMBL247849;DTXSID7060754;N-Ethyl-N-(4-methylphenyl)amine;N-ETHYL-4-METHYLBENZENAMINE;MFCD00035793;N-Ethyl-N-(4-methylphenyl)amine #;NA2754;UN2754;AKOS000241591;BS-42310;BB 0259326;E0179;FT-0632613;EN300-33071;N-Ethyl-N-(4-methylphenyl)amine, AldrichCPR;D90452;W-105026;Q63391562

Chemical Property of N-Ethyl-p-toluidine

Chemical Property:

• Vapor Pressure: 0.132mmHg at 25°C
• Melting Point: -6.87°C (estimate)
• Refractive Index: 1.552
• Boiling Point: 217.6 °C at 760 mmHg
• PKA: 5.67±0.32(Predicted)
• Flash Point: 84.1 °C
• PSA: 12.03000
• Density: 0.954g/cm³
• LogP: 2.49980
• Solubility.: soluble in Alcohol,Ether
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 135.104799419
• Heavy Atom Count: 10
• Complexity: 82.7
• Transport DOT Label: Poison

Purity/Quality:

99%, ^*data from raw suppliers

N-Ethyl-p-toluidine >98.0%(GC)(T) ^*data from reagent suppliers

Safty Information:

• Statements: 20/21/22-36/37/38
• Safety Statements: 23-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCNC1=CC=C(C=C1)C

Technology Process of N-Ethyl-p-toluidine

There total 59 articles about N-Ethyl-p-toluidine 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%

triphenyl phosphite (101-02-0) + ethene (74-85-1) + N-ethyl-N-phenylamine (103-69-5) → 2-(1-butenyl)aniline (7137-92-0) + N-ethyl-p-tolylamine (622-57-1)

Guidance literature:

With aniline; Fe(CO)5;

Reference yield: 97.0%

1-methyl-4-nitrobenzene (99-99-0) + acetonitrile (75-05-8,26809-02-9) → N-ethyl-p-tolylamine (622-57-1)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In ethyl acetate; at 20 ℃; for 12h; under 760.051 Torr;

DOI:10.1039/c1ob06303k

Reference yield: 96.0%

p-toluidine (106-49-0,12221-03-3) + triethylamine (121-44-8) → N-ethyl-p-tolylamine (622-57-1)

Guidance literature:

With [(phenylbenzothiazole)₂Ir(nBu)₃]OTf; In 5,5-dimethyl-1,3-cyclohexadiene; at 155 ℃; for 10h; Inert atmosphere; Schlenk technique;

upstream raw materials:

1-methyl-4-nitrobenzene

ethylmagnesium bromide

ethyl bromide

p-toluidine

Downstream raw materials:

N,N-diethyl-p-toluidine

N-ethyl-N-p-tolylmethanesulfonamide

2-(N-ethyl-p-toluidino)-1-phenyl-ethanone

ethyl-p-tolyl-carbamoyl chloride