Phenothiazin-5-ium, 3,7-bis(dibutylamino)-, bromide

Base Information

• Chemical Name: Phenothiazin-5-ium, 3,7-bis(dibutylamino)-, bromide
• CAS No.: 30189-85-6
• Molecular Formula: C28H42N3S.Br
• Molecular Weight: 532.62200
• DSSTox Substance ID: DTXSID70471001
• Mol file: 30189-85-6.mol

Synonyms:PPA-904;30189-85-6;Phenothiazin-5-ium, 3,7-bis(dibutylamino)-, bromide;dibutyl-[7-(dibutylamino)phenothiazin-3-ylidene]azanium;bromide;SCHEMBL1146683;DTXSID70471001;EX-A5829;HY-U00128;AKOS040744349;CS-7165;MS-29845;3,7-Bis(dibutylamino)phenothiazin-5-ium bromide

Chemical Property of Phenothiazin-5-ium, 3,7-bis(dibutylamino)-, bromide

Chemical Property:

• PSA: 47.61000
• LogP: 5.54780
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 13
• Exact Mass: 531.22828
• Heavy Atom Count: 33
• Complexity: 634

Purity/Quality:

97% ^*data from raw suppliers

PPA-904 97.97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCN(CCCC)C1=CC2=C(C=C1)N=C3C=CC(=[N+](CCCC)CCCC)C=C3S2.[Br-]
• Recent EU Clinical Trials: Open-label, within-subject controlled, Phase IIa study to investigate repeat dose antimicrobial photodynamic therapy in patients with acne vulgaris.

Technology Process of Phenothiazin-5-ium, 3,7-bis(dibutylamino)-, bromide

There total 3 articles about Phenothiazin-5-ium, 3,7-bis(dibutylamino)-, bromide 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: 30.0%

3,7-dibromophenothiazin-5-ium perbromide (1206715-29-8) + dibutylamine (111-92-2) → 3,7-bis(dibutylamino)phenothiazin-5-ium bromide (30189-85-6)

Guidance literature:

In dichloromethane; for 4h;

DOI:10.1016/j.ijantimicag.2009.11.022

Reference yield:

10H-phenothiazine (92-84-2) → 3,7-bis(dibutylamino)phenothiazin-5-ium bromide (30189-85-6)

Guidance literature:

Multi-step reaction with 2 steps

1: bromine; acetic acid

2: dichloromethane / 4 h

With bromine; acetic acid; In dichloromethane;

DOI:10.1016/j.ijantimicag.2009.11.022

Reference yield:

→ 3,7-bis(dibutylamino)phenothiazin-5-ium bromide (30189-85-6)

Guidance literature:

upstream raw materials:

3,7-dibromophenothiazin-5-ium perbromide

dibutylamine

10H-phenothiazine