1,4-Naphthoquinone, 2-chloro-3-(3-(dimethylamino)propylamino)-

Base Information

• Chemical Name: 1,4-Naphthoquinone, 2-chloro-3-(3-(dimethylamino)propylamino)-
• CAS No.: 22272-09-9
• Molecular Formula: C₁₅H₁₇ClN₂O₂
• Molecular Weight: 292.765
• Hs Code.: 2922399090
• NSC Number: 39349
• UNII: D4KEG8DS4C
• DSSTox Substance ID: DTXSID20176817
• Nikkaji Number: J42.453F
• Wikidata: Q83047123
• ChEMBL ID: CHEMBL4286829
• Mol file: 22272-09-9.mol

Synonyms:22272-09-9;1,4-NAPHTHOQUINONE, 2-CHLORO-3-(3-(DIMETHYLAMINO)PROPYLAMINO)-;2-Chloro-3-(3-dimethylaminopropylamino)-1,4-naphthoquinone;NSC 39349;D4KEG8DS4C;BRN 3096580;NSC-39349;2-Chloro-3-((3-(dimethylamino)propyl)amino)-1,4-naphthalenedione;NSC39349;UNII-D4KEG8DS4C;CHEMBL4286829;DTXSID20176817;LS-95626;1, 2-chloro-3-(3-(dimethylamino)propylamino)-;1, 2-chloro-3-[[3-(dimethylamino)propyl]amino]-;1,4-Naphthoquinone, 2-chloro-3-[[3-(dimethylamino)propyl]amino]-;2-Chloro-3-[[3-(dimethylamino)propyl]amino]-1,4-naphthoquinone

Chemical Property of 1,4-Naphthoquinone, 2-chloro-3-(3-(dimethylamino)propylamino)-

Chemical Property:

• Vapor Pressure: 1.66E-06mmHg at 25°C
• Boiling Point: 396.9°Cat760mmHg
• Flash Point: 193.8°C
• PSA: 49.41000
• Density: 1.26g/cm³
• LogP: 2.44820
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 292.0978555
• Heavy Atom Count: 20
• Complexity: 432

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CN(C)CCCNC1=C(C(=O)C2=CC=CC=C2C1=O)Cl

Technology Process of 1,4-Naphthoquinone, 2-chloro-3-(3-(dimethylamino)propylamino)-

There total 3 articles about 1,4-Naphthoquinone, 2-chloro-3-(3-(dimethylamino)propylamino)- 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: 70.0%

2,3-Dichloro-1,4-naphthoquinone (117-80-6) + 1-amino-3-(dimethylamino)propane (109-55-7) → 2-chloro-3-{[3-(dimethylamino)propyl]amino}naphthalene-1,4-dione (22272-09-9)

Guidance literature:

With triethylamine; In diethyl ether; at 20 ℃; for 24h;

Reference yield:

C15H17ClN2O2(1-) → 2-chloro-3-{[3-(dimethylamino)propyl]amino}naphthalene-1,4-dione (22272-09-9)

Guidance literature:

With paraquat dichloride; isopropyl alcohol; In water; Rate constant; other reagent;

DOI:10.1021/j100181a036

Reference yield:

→ 2-chloro-3-{[3-(dimethylamino)propyl]amino}naphthalene-1,4-dione (22272-09-9)

Guidance literature:

aus 2,3-Dichlor-1,4-naphthochinon, 3-Dimethylamino-propylamin;

DOI:10.1021/jm00301a053

upstream raw materials:

2,3-Dichloro-1,4-naphthoquinone

1-amino-3-(dimethylamino)propane

Refernces

• 1、 Devendiran, M.,Kalaivani, R. A.,Kosiha, A.,Kumar, K. Krishna. "Colorimetric sensing and anion recognition by Kalanchoe flower-like ligand and its transition metal complexes with polarized N-H interaction motifs". . . Retrieved 2021.
• 2、 Brun, A. M.,Hubig, S. M.,Rodgers, M. A. J.,Wade, W. H.. "Electron Transfer in Linked Viologen-Quinone Molecules: Rate Constant Enhancement with Increased Chain Length". . p. 710 - 715. Retrieved 2007/10/02.