N-(2-Chloroethyl)-N-methylaniline

Base Information

• Chemical Name: N-(2-Chloroethyl)-N-methylaniline
• CAS No.: 1669-85-8
• Molecular Formula: C9H12 Cl N
• Molecular Weight: 169.654
• Hs Code.: 2921420090
• NSC Number: 54749
• DSSTox Substance ID: DTXSID70168202
• Nikkaji Number: J55.209G
• Mol file: 1669-85-8.mol

Synonyms:N-(2-Chloroethyl)-N-methylaniline;1669-85-8;2-Chloroethylmethylphenylamine;ANILINE, N-(2-CHLOROETHYL)-N-METHYL-;Benzenamine, N-(2-chloroethyl)-N-methyl-;NSC 54749;N-(2-Chloroethyl)-N-methylbenzenamine;BRN 2803141;3-12-00-00259 (Beilstein Handbook Reference);NSC54749;WLN: G2N1&R;N-Methyl-N-chloroethyl aniline;SCHEMBL6738124;DTXSID70168202;NSC-54749;AKOS010541658;LS-19656;CS-0265263;EN300-97358

Chemical Property of N-(2-Chloroethyl)-N-methylaniline

Chemical Property:

• Vapor Pressure: 0.0357mmHg at 25°C
• Boiling Point: 241.5°Cat760mmHg
• Flash Point: 99.9°C
• PSA: 3.24000
• Density: 1.092g/cm³
• LogP: 2.36160
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 169.0658271
• Heavy Atom Count: 11
• Complexity: 99.7

Purity/Quality:

99% ^*data from raw suppliers

N-(2-CHLOROETHYL)-N-METHYLANILINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of N-(2-Chloroethyl)-N-methylaniline

There total 10 articles about N-(2-Chloroethyl)-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: 93.0%

chloroacetic acid (79-11-8) + N-methylaniline (100-61-8) → N-(2-chloroethyl)-N-methylaniline (1669-85-8)

Guidance literature:

With trimethylamine borane; In xylene; for 7h; Heating;

DOI:10.1055/s-1983-30605

Reference yield: 89.0%

N-(2-hydroxyethyl)-N-methylaminobenzene (93-90-3) → N-(2-chloroethyl)-N-methylaniline (1669-85-8)

Guidance literature:

With thionyl chloride;

DOI:10.1002/cssc.201903151

Reference yield: 30.0%

1-Bromo-2-chloroethane (107-04-0) + N-methylaniline (100-61-8) → N-(2-chloroethyl)-N-methylaniline (1669-85-8)

Guidance literature:

With sodium carbonate; In butanone; for 30h; Heating;

DOI:10.1016/0223-5234(92)90189-8

upstream raw materials:

N-Methyl,N-{(2-bromo)-1-ethyl}aniline

N-(2-hydroxyethyl)-N-methylaminobenzene

2-chloroethyl tosylate

N-methylaniline

Downstream raw materials:

2-(methyl(phenyl)amino)ethyl benzoate

N-Methyl,N-{(2-bromo)-1-ethyl}aniline

N-(2-chloro-ethyl)-N-methyl-4-nitroso-aniline

N-methyl-N-(2-[2]naphthyloxy-ethyl)-aniline

Refernces

• 1、 -. "A 4 - (N - methyl - N - sulfo ethyl) amino formaldehyde sodium synthesis method". Paragraph 0031-0050. . Retrieved 2018/06/19.
• 2、 -. "ROS-Activated Compounds as Selective Anti-Cancer Therapeutics". Paragraph 0123. . Retrieved 2013/09/12.