1-Chloro-4-propoxy-9H-thioxanthen-9-one

Base Information

• Chemical Name: 1-Chloro-4-propoxy-9H-thioxanthen-9-one
• CAS No.: 142770-42-1
• Molecular Formula: C16H13ClO2S
• Molecular Weight: 304.797
• European Community (EC) Number: 604-308-1
• DSSTox Substance ID: DTXSID50888976
• Nikkaji Number: J824.499E
• Wikidata: Q72457998
• Mol file: 142770-42-1.mol

Synonyms:1-Chloro-4-propoxy-9H-thioxanthen-9-one;142770-42-1;1-Chloro-4-propoxythioxanthone;9H-Thioxanthen-9-one, 1-chloro-4-propoxy-;1-chloro-4-propoxythioxanthen-9-one;9H-Thioxanthen-9-one,1-chloro-4-propoxy-;C16H13ClO2S;SCHEMBL108341;1-Chloro-4-n-propoxythioxanthone;DTXSID50888976;VKQJCUYEEABXNK-UHFFFAOYSA-N;MFCD00191928;AKOS000521005;2-OXO-4-PHENYL-BUT-3-ENOICACID;DS-12006;?1-Chloro-4-propoxy-9H-thioxanthen-9-one;C3452;CS-0162559;FT-0650656;NS00003412;EN300-18648;F13247;1-Chloro-4-propoxy-9H-thioxanthen-9-one, 97%;SR-01000388444;SR-01000388444-1;BRD-K46930830-001-01-3;Z87001799

Chemical Property of 1-Chloro-4-propoxy-9H-thioxanthen-9-one

Chemical Property:

• Appearance/Colour: bright yellow even solid powder
• Vapor Pressure: 6.53E-09mmHg at 25°C
• Melting Point: 99-103 °C(lit.)
• Refractive Index: 1.637
• Boiling Point: 467.402 °C at 760 mmHg
• Flash Point: 236.477 °C
• PSA: 54.54000
• Density: 1.319 g/cm³
• LogP: 4.85690
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• Water Solubility.: 80.6μg/L at 20℃
• XLogP3: 5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 304.0324785
• Heavy Atom Count: 20
• Complexity: 362

Purity/Quality:

99% ^*data from raw suppliers

1-Chloro-4-propoxy-9H-thioxanthen-9-one ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCCOC1=C2C(=C(C=C1)Cl)C(=O)C3=CC=CC=C3S2

Technology Process of 1-Chloro-4-propoxy-9H-thioxanthen-9-one

There total 2 articles about 1-Chloro-4-propoxy-9H-thioxanthen-9-one 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: 95.4%

1-chloro-4-hydroxy-9H-thioxanthen-9-one (59803-22-4) + propyl bromide (106-94-5) → 1-chloro-4-propoxy-9H-thioxanthen-9-one (142770-42-1)

Guidance literature:

With potassium carbonate; at 80 ℃;

Reference yield: 75.5%

→ 1-chloro-4-propoxy-9H-thioxanthen-9-one (142770-42-1)

Guidance literature:

Reference yield: 45.0%

1-(2-chlorobenzyl)guanidine (4406-27-3) + 1-chloro-4-propoxy-9H-thioxanthen-9-one (142770-42-1) → N‐(2‐chlorobenzyl)‐6‐propoxythiochromeno[4,3,2‐de]quinazolin‐2‐amine

Guidance literature:

With copper(l) iodide; potassium carbonate; In methanol; at 100 ℃; for 48h; Sealed tube;

DOI:10.3390/molecules26113315

upstream raw materials:

1-chloro-4-hydroxy-9H-thioxanthen-9-one

propyl bromide

Downstream raw materials:

1-[2-(1H-benzimidazole-2-yl)ethylamino]-4-propoxy-9H-thioxanthen-9-one

1-(((4-nitrobenzyl)oxy)amino)-4-propoxy-9H-thioxanthen-9-one

1-{[4-(Aminomethyl)benzyl]amino}-4-propoxy-9H-thioxanthen-9-one

1-{[2-(4-nitrophenyl)ethyl]amino}-4-propoxy-9H-thioxanthen-9-one

Refernces

• 1、 -. "Thioxanthone derivatives". . . Retrieved 2008/06/13.