N-Propyl-m-toluidine

Base Information

• Chemical Name: N-Propyl-m-toluidine
• CAS No.: 142031-46-7
• Molecular Formula: C10H15 N
• Molecular Weight: 149.236
• Hs Code.: 2921430090
• European Community (EC) Number: 620-786-4
• DSSTox Substance ID: DTXSID60400683
• Nikkaji Number: J140.766J
• Wikidata: Q82203697
• Mol file: 142031-46-7.mol

Synonyms:N-Propyl-m-toluidine;3-methyl-N-propylaniline;142031-46-7;N-(3-methylphenyl)-N-propylamine;N-PROPYL-M-TOLUIDINE 97;N-n-propyl-m-toluidine;N-Propyl-m-toluidine, 97%;SCHEMBL2870884;DTXSID60400683;MFCD03093926;STK504336;AKOS000223155;LS-02621;J-007580

Chemical Property of N-Propyl-m-toluidine

Chemical Property:

• Refractive Index: n20/D 1.538(lit.)
• Boiling Point: 235 °C(lit.)
• Flash Point: 226 °F
• PSA: 12.03000
• Density: 0.914 g/mL at 25 °C(lit.)
• LogP: 2.88990
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 149.120449483
• Heavy Atom Count: 11
• Complexity: 101

Purity/Quality:

98%min ^*data from raw suppliers

N-(3-Methylphenyl)-N-propylamine ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCNC1=CC=CC(=C1)C

Technology Process of N-Propyl-m-toluidine

There total 8 articles about N-Propyl-m-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%

1-amino-3-methylbenzene (108-44-1) + propiononitrile (107-12-0) → N-propyl-3-methylaniline (142031-46-7) + N,N-dipropyl-m-toluidine (77734-44-2)

Guidance literature:

With ammonium formate; palladium on activated charcoal; In methanol; water; at 20 ℃; for 2.4h;

DOI:10.1021/ol047580f

Reference yield: 91.0%

tri-n-propylamine (102-69-2) + 1-amino-3-methylbenzene (108-44-1) → N-propyl-3-methylaniline (142031-46-7)

Guidance literature:

With palladium 10% on activated carbon; In toluene; at 175 ℃; for 1.5h; Inert atmosphere; Microwave irradiation;

DOI:10.1002/chem.201002704

Reference yield: 89.0%

1-methyl-3-nitrobenzene (99-08-1) + propiononitrile (107-12-0) → N-propyl-3-methylaniline (142031-46-7) + N,N-dipropyl-m-toluidine (77734-44-2)

Guidance literature:

1-methyl-3-nitrobenzene; With ammonium formate; palladium on activated charcoal; In methanol; water; at 20 ℃;

propiononitrile; In methanol; water;

DOI:10.1021/ol047580f

upstream raw materials:

1-iodo-propane

1-amino-3-methylbenzene

propiononitrile

1-methyl-3-nitrobenzene

Downstream raw materials:

C₂₁H₂₂N₂O₄

Refernces

• 1、 Lubinu, M. Caterina,De Luca, Lidia,Giacomelli, Giampaolo,Porcheddu, Andrea. "Microwave-promoted selective mono-n-alkylation of anilines with tertiary amines by heterogeneous catalysis". supporting information; experimental part. p. 82 - 85. Retrieved 2011/03/21.
• 2、 -. "HETEROCYCLIC DERIVATIVE HAVING INHIBITORY ACTIVITY ON TYPE-I 11 -HYDROXYSTEROID DEHYDROGENASE". Page/Page column 132. . Retrieved 2010/08/07.