N-Allylphenothiazine

Base Information

• Chemical Name: N-Allylphenothiazine
• CAS No.: 20962-92-9
• Molecular Formula: C15H13NS
• Molecular Weight: 239.341
• DSSTox Substance ID: DTXSID30470510
• Nikkaji Number: J761.479I
• Wikidata: Q82298622
• Mol file: 20962-92-9.mol

Synonyms:N-Allylphenothiazine;20962-92-9;10-prop-2-enylphenothiazine;10-Allyl-10H-phenothiazine;10H-Phenothiazine, 10-(2-propen-1-yl)-;10-allylphenothiazine;starbld0047621;10-(2-Propen-1-yl)-10H-phenothiazine;SCHEMBL39172;DTXSID30470510;AKOS030254786;10-(PROP-2-EN-1-YL)-10H-PHENOTHIAZINE

Chemical Property of N-Allylphenothiazine

Chemical Property:

• Boiling Point: 369.7±22.0 °C(Predicted)
• PKA: 0.10±0.20(Predicted)
• PSA: 28.54000
• Density: 1.163±0.06 g/cm3(Predicted)
• LogP: 4.54030
• Storage Temp.: -20°C Freezer
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 4.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 239.07687059
• Heavy Atom Count: 17
• Complexity: 256

Purity/Quality:

99% ^*data from raw suppliers

N-Allylphenothiazine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=CCN1C2=CC=CC=C2SC3=CC=CC=C31
• Uses: Phenothiazine (P318040) derivative.

Technology Process of N-Allylphenothiazine

There total 6 articles about N-Allylphenothiazine 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: 100.0%

10H-phenothiazine (92-84-2) + allyl bromide (106-95-6) → 10-allylphenothiazine (20962-92-9)

Guidance literature:

With sodium hydroxide; tetra(n-butyl)ammonium hydrogensulfate; In various solvent(s); for 2.5h; Ambient temperature;

DOI:10.1002/jhet.5570210271

Reference yield: 76.0%

10H-phenothiazine (92-84-2) + allyl alcohol (107-18-6) → 10-allylphenothiazine (20962-92-9)

Guidance literature:

With titanium(IV) isopropylate; palladium diacetate; triphenylphosphine; In benzene; for 3h; Heating;

DOI:10.1248/cpb.53.1266

Reference yield: 74.0%

10H-phenothiazine (92-84-2) + 1.3-chlorobromopropane (109-70-6) → 10-allylphenothiazine (20962-92-9) + 10-(3-chloropropyl)-10H-phenothiazine (5909-59-1)

Guidance literature:

With sodium hydroxide; tetra(n-butyl)ammonium hydrogensulfate; In various solvent(s); for 24h; Ambient temperature;

DOI:10.1002/jhet.5570210271

upstream raw materials:

10H-phenothiazine

allyl bromide

1.3-chlorobromopropane

1,3-dibromo-propane

Downstream raw materials:

N,N-dimethyl-N-<4-(10H-10-phenothiazinyl)butyl>amine

Alimemazine

N-propylphenothiazine

Refernces

• 1、 Gan, Kim-Hong,Jhong, Ciou-Jyu,Shue, Yi-Jen,Yang, Shyh-Chyun. "Platinum-catalyzed allylation of aminonaphthalenes with allylic acetates in water". . p. 9625 - 9629. Retrieved 2008/12/22.
• 2、 Hsu, Yi-Chun,Gan, Kim-Hong,Yang, Shyh-Chyun. "Palladium-catalyzed allylation of acidic and less nucleophilic anilines using allylic alcohols directly". . p. 1266 - 1269. Retrieved 2007/10/03.