10-(3-Chloropropyl)-N,N-dimethyl-10H-phenothiazine-2-sulphonamide

Base Information

• Chemical Name: 10-(3-Chloropropyl)-N,N-dimethyl-10H-phenothiazine-2-sulphonamide
• CAS No.: 40051-12-5
• Molecular Formula: C17H19ClN2O2S2
• Molecular Weight: 382.935
• Hs Code.: 2935009090
• European Community (EC) Number: 254-775-7
• DSSTox Substance ID: DTXSID10193114
• Nikkaji Number: J261.512F
• Wikidata: Q83065836
• Mol file: 40051-12-5.mol

Synonyms:40051-12-5;EINECS 254-775-7;10-(3-Chloropropyl)-N,N-dimethyl-10H-phenothiazine-2-sulphonamide;10-(3-CHLOROPROPYL)-N,N-DIMETHYL-10H-PHENOTHIAZINE-2-SULFONAMIDE;C17H19ClN2O2S2;DTXSID10193114;C17-H19-Cl-N2-O2-S2

Chemical Property of 10-(3-Chloropropyl)-N,N-dimethyl-10H-phenothiazine-2-sulphonamide

Chemical Property:

• Vapor Pressure: 4.61E-12mmHg at 25°C
• Boiling Point: 548°Cat760mmHg
• PKA: -1.89±0.20(Predicted)
• Flash Point: 285.2°C
• PSA: 74.30000
• Density: 1.331g/cm³
• LogP: 5.31430
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 382.0576479
• Heavy Atom Count: 24
• Complexity: 523

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)S(=O)(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3N2CCCCl

Technology Process of 10-(3-Chloropropyl)-N,N-dimethyl-10H-phenothiazine-2-sulphonamide

There total 2 articles about 10-(3-Chloropropyl)-N,N-dimethyl-10H-phenothiazine-2-sulphonamide 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: 65.0%

1.3-chlorobromopropane (109-70-6) + 10H-phenothiazine-2-sulfonic acid dimethylamide (1090-78-4) → 10-(3-chloropropyl)-N,N-dimethyl-10H-phenothiazine-2-sulfonamide (40051-12-5)

Guidance literature:

With sodium hydride; In toluene; at 110 ℃; for 12h;

Reference yield:

→ 10-(3-chloropropyl)-N,N-dimethyl-10H-phenothiazine-2-sulfonamide (40051-12-5)

Guidance literature:

DOI:10.1007/BF00771334

Reference yield:

4-benzylpyperidine (31252-42-3) + 10-(3-chloropropyl)-N,N-dimethyl-10H-phenothiazine-2-sulfonamide (40051-12-5) → 10-[3-(4-Benzyl-piperidin-1-yl)-propyl]-10H-phenothiazine-2-sulfonic acid dimethylamide

Guidance literature:

With potassium carbonate; In 1,4-dioxane; Heating;

DOI:10.1016/S0960-894X(98)00094-8

upstream raw materials:

1.3-chlorobromopropane

10H-phenothiazine-2-sulfonic acid dimethylamide

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