N,N-bis(3-chloro-2-hydroxypropyl)-aniline

Base Information

• Chemical Name: N,N-bis(3-chloro-2-hydroxypropyl)-aniline
• CAS No.: 30001-53-7
• Molecular Formula: C₁₂H₁₇Cl₂NO₂
• Molecular Weight: 278.178
• DSSTox Substance ID: DTXSID401265803
• Mol file: 30001-53-7.mol

Synonyms:N,N-bis(3-chloro-2-hydroxypropyl)-aniline;SCHEMBL9273570;DBFLDFSDKIQCDA-UHFFFAOYSA-N;DTXSID401265803;30001-53-7;1,1'-(Phenylimino)bis[3-chloro-2-propanol]

Chemical Property of N,N-bis(3-chloro-2-hydroxypropyl)-aniline

Chemical Property:

• XLogP3: 2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 277.0636342
• Heavy Atom Count: 17
• Complexity: 189

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)N(CC(CCl)O)CC(CCl)O

Technology Process of N,N-bis(3-chloro-2-hydroxypropyl)-aniline

There total 4 articles about N,N-bis(3-chloro-2-hydroxypropyl)-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: 84.7%

aniline (62-53-3) + epichlorohydrin (106-89-8,24969-06-0,13403-37-7) → 3,3'-(phenylazanediyl)bis(1-chloropropan-2-ol) (30001-53-7)

Guidance literature:

With propionic acid; In water; at 25 ℃; for 18h;

DOI:10.1002/jsde.12048

Reference yield: 56.0%

aniline (62-53-3) + epichlorohydrin (106-89-8,24969-06-0,13403-37-7) → 3,3'-(phenylazanediyl)bis(1-chloropropan-2-ol) (30001-53-7) + N-(3-chloro-2-hydroxypropyl)aniline (76226-32-9,15949-12-9)

Guidance literature:

at 40 ℃; for 16h;

Reference yield:

aniline (62-53-3) + epichlorohydrin (106-89-8,24969-06-0,13403-37-7) → C8H10ClNO (1008144-01-1) + 3,3'-(phenylazanediyl)bis(1-chloropropan-2-ol) (30001-53-7)

Guidance literature:

With 3C₁₃H₁₁N₂O₂^(1-)*Zn⁽²⁺⁾*Fe⁽³⁺⁾*NO₃^(1-)*Cl^(1-)*3CH₄O*3C₃H₇NO; In neat (no solvent); at 20 ℃; for 6h; regioselective reaction;

DOI:10.1016/j.poly.2018.10.050

upstream raw materials:

aniline

epichlorohydrin

Downstream raw materials:

N,N-di(2,3-epoxypropyl)aniline