N-Allyl-N-methylaniline

Base Information

• Chemical Name: N-Allyl-N-methylaniline
• CAS No.: 6628-07-5
• Molecular Formula: C10H13 N
• Molecular Weight: 147.22
• Hs Code.: 2921420090
• European Community (EC) Number: 800-704-5
• NSC Number: 60287
• DSSTox Substance ID: DTXSID40289317
• Nikkaji Number: J184.191B
• Wikidata: Q63395604
• Mol file: 6628-07-5.mol

Synonyms:N-ALLYL-N-METHYLANILINE;6628-07-5;N-methyl-N-prop-2-enylaniline;n-methyl-n-(prop-2-en-1-yl)aniline;NSC60287;allyl-N-methylaniline;N-methyl-N-allylaniline;N-allyl-N-methyl-aniline;SCHEMBL1257194;DTXSID40289317;NSC-60287;AKOS006227949;Q63395604

Chemical Property of N-Allyl-N-methylaniline

Chemical Property:

• Vapor Pressure: 0.172mmHg at 25°C
• Boiling Point: 214-216°C
• PKA: 4.44±0.50(Predicted)
• Flash Point: 84.7°C
• PSA: 3.24000
• Density: 0.946g/cm³
• LogP: 2.30880
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 147.104799419
• Heavy Atom Count: 11
• Complexity: 114

Purity/Quality:

99%min ^*data from raw suppliers

N-ALLYL-N-METHYLANILINE 95.00% ^*data from reagent suppliers

Safty Information:

• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

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

Technology Process of N-Allyl-N-methylaniline

There total 48 articles about N-Allyl-N-methylaniline 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%

N-allyl-N-methyl-2-bromoaniline (71492-76-7) → N-allyl-N-methylaniline (6628-07-5)

Guidance literature:

N-allyl-N-methyl-2-bromoaniline; With tert.-butyl lithium; In diethyl ether; pentane; at -78 ℃; for 1h;

With indium(III) chloride; In tetrahydrofuran; diethyl ether; pentane; at -78 ℃; for 1h;

With water; In tetrahydrofuran; diethyl ether; pentane; Further stages.; Heating;

DOI:10.1016/j.tet.2008.01.013

Reference yield: 99.0%

allyl alcohol (107-18-6) + N-methylaniline (100-61-8) → N-allyl-N-methylaniline (6628-07-5)

Guidance literature:

With titanium(IV) isopropylate; MS 4 Angstroem; palladium diacetate; triphenylphosphine; In benzene; at 80 ℃; for 3h;

DOI:10.1016/S0040-4039(00)01171-0

Reference yield: 97.0%

3-chloroprop-1-ene (107-05-1) + N-methylaniline (100-61-8) → N-allyl-N-methylaniline (6628-07-5)

Guidance literature:

With copper; copper(II) perchlorate; In diethyl ether; for 2h; Ambient temperature;

DOI:10.1016/S0040-4020(01)80891-7

upstream raw materials:

allyl bromide

N-methylaniline

methylallylbenzylphenylammonium iodide

allyl iodid

Downstream raw materials:

N-allyl-N,N-dimethylbenzenaminium iodide

(+/-)-N-allyl-N-methyl-aniline-N-oxide

cis-N--N-methyl-anilin

(4-{[(Allyl-phenyl-amino)-methyl]-ethoxycarbonyl-amino}-phenyl)-carbamic acid ethyl ester

Refernces

• 1、 Alvaro, Mercedes,Aprile, Carmela,Corma, Avelino,Fornes, Vicente,Garcia, Hermenegildo,Peris, Encarna. "1,3,5-Triaryl-2-penten-1,5-dione anchored to insoluble supports as heterogeneous chromogenic chemosensor". . p. 8257 - 8263. Retrieved 2004.
• 2、 Yurino, Taiga,Saito, Sunaho,Ichihashi, Mizuki,Ohkuma, Takeshi. "Aerobic Allylic Amination Catalyzed by a Pd(OAc)2/P(OPh)3System with Low Catalyst Loading". supporting information. p. 2864 - 2872. Retrieved 2022/02/14.
• 3、 Perumal, Gopi,Kandasamy, Mohanraj,Ganesan, Balaji,Govindan, Karthick,Sathya, Harsha,Hung, Min-Yuan,Chandru Senadi, Gopal,Wu, Ya-Ching,Lin, Wei-Yu. "Visible light-induced N-methyl activation of unsymmetric tertiary amines". supporting information. . Retrieved 2021/01/09.