N(1),N(3)-Bis(3,4-dichlorobenzyl)-1,3-propanediamine

Base Information

• Chemical Name: N(1),N(3)-Bis(3,4-dichlorobenzyl)-1,3-propanediamine
• CAS No.: 6952-98-3
• Molecular Formula: C17H18Cl4N2
• Molecular Weight: 392.1502
• NSC Number: 70858
• UNII: A4ZF8ZLG66
• DSSTox Substance ID: DTXSID80219779
• Wikidata: Q83096773

Synonyms:6952-98-3;A4ZF8ZLG66;N(1),N(3)-Bis(3,4-dichlorobenzyl)-1,3-propanediamine;NSC70858;NSC 70858;UNII-A4ZF8ZLG66;N,N'-bis[(3,4-dichlorophenyl)methyl]propane-1,3-diamine;NSC-70858;N,N'-Bis((3,4-dichlorophenyl)methyl)propane-1,3-diamine;NCIOpen2_008525;DTXSID80219779;N~1~,N~3~-Bis(3,4-dichlorobenzyl)-1,3-propanediamine;N1,N3-BIS((3,4-DICHLOROPHENYL)METHYL)-1,3-PROPANEDIAMINE;1,3-PROPANEDIAMINE, N1,N3-BIS((3,4-DICHLOROPHENYL)METHYL)-

Chemical Property of N(1),N(3)-Bis(3,4-dichlorobenzyl)-1,3-propanediamine

Chemical Property:

• Boiling Point: 489.4°Cat760mmHg
• Flash Point: 249.8°C
• Density: 1.316g/cm³
• XLogP3: 5.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 8
• Exact Mass: 392.019459
• Heavy Atom Count: 23
• Complexity: 302

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1CNCCCNCC2=CC(=C(C=C2)Cl)Cl)Cl)Cl

Technology Process of N(1),N(3)-Bis(3,4-dichlorobenzyl)-1,3-propanediamine

There total 2 articles about N(1),N(3)-Bis(3,4-dichlorobenzyl)-1,3-propanediamine 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: 81.19%

N,N'-Bis-[1-(3,4-dichloro-phenyl)-meth-(E)-ylidene]-propane-1,3-diamine → N,N'-Bis-<3,4-dichlor-benzyl>-1,3-diamino-propan (6952-98-3)

Guidance literature:

With sodium hydroxide; sodium tetrahydroborate; In methanol; at 20 ℃; for 7h;

Reference yield:

N,N'-Bis-<3,4-dichlor-benzyliden>-1,3-diamino-propan (7151-72-6) → N,N'-Bis-<3,4-dichlor-benzyl>-1,3-diamino-propan (6952-98-3)

Guidance literature:

With sodium tetrahydroborate; In methanol;

DOI:10.1021/jm00331a028

Reference yield: 90.0%

2-[3-(2-formylphenoxy)propoxy]benzaldehyde (17954-12-0) + N,N'-Bis-<3,4-dichlor-benzyl>-1,3-diamino-propan (6952-98-3) → C51H48Cl8N4O2 (141070-37-3)

Guidance literature:

In ethanol;

upstream raw materials:

N,N'-Bis-<3,4-dichlor-benzyliden>-1,3-diamino-propan

Downstream raw materials:

1,3-Bis-(3,4-dichloro-benzyl)-2-pyridin-3-yl-hexahydro-pyrimidine

C₅₁H₄₈Cl₈N₄O₂

2,6-Bis-(3,4-dichloro-benzyl)-[1,2,6]thiadiazinane

C₄₂H₃₈Cl₈N₄

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