9H-xanthene-9-carboxamide

Base Information

• Chemical Name: 9H-xanthene-9-carboxamide
• CAS No.: 5813-90-1
• Molecular Formula: C14H11 N O2
• Molecular Weight: 225.247
• Hs Code.: 2932999099
• European Community (EC) Number: 676-563-7
• DSSTox Substance ID: DTXSID80352392
• Nikkaji Number: J24.820G
• Wikidata: Q82129516
• ChEMBL ID: CHEMBL1471428
• Mol file: 5813-90-1.mol

Synonyms:9H-xanthene-9-carboxamide;xanthene-9-carboxamide;5813-90-1;9-Xanthene carbamide;xanthene carboxamide;9-xanthencarboxamide;9H-Xanthene-9-carboxylic acid amide;9-xanthenecarboxamide;BAS 01130646;Maybridge4_000665;Oprea1_451139;Oprea1_717964;MLS001181465;SCHEMBL1552414;CHEMBL1471428;DTXSID80352392;HMS1522O05;HMS2865L13;MFCD00173894;STK873814;AKOS000644262;CCG-235188;IDI1_031247;AC-13525;AS-58625;SMR000567221;CS-0207185;FT-0635864;BRD-K26220706-001-01-4;Z68590215

Chemical Property of 9H-xanthene-9-carboxamide

Chemical Property:

• Melting Point: 244-246°C
• Boiling Point: 426.7°Cat760mmHg
• Flash Point: 228.6°C
• PSA: 52.32000
• Density: 1.283g/cm³
• LogP: 3.10980
• Storage Temp.: Room Temperature, under inert atmosphere
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 225.078978594
• Heavy Atom Count: 17
• Complexity: 283

Purity/Quality:

98%Min ^*data from raw suppliers

Xanthene-9-carboxamide ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(C3=CC=CC=C3O2)C(=O)N

Technology Process of 9H-xanthene-9-carboxamide

There total 3 articles about 9H-xanthene-9-carboxamide 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: 93.0%

9H-xanthene-9-carboxylic acid methyl ester (39497-06-8) → 9H-Xanthene-9-carboxamide (5813-90-1)

Guidance literature:

With ammonia; calcium chloride; In methanol; at 80 ℃; for 24h; under 1275.13 Torr; Inert atmosphere;

DOI:10.1016/j.tetlet.2010.05.075

Reference yield: 85.0%

xanthene-9-carboxylic acid (82-07-5) → 9H-Xanthene-9-carboxamide (5813-90-1)

Guidance literature:

With pyridine; di-tert-butyl dicarbonate; ammonium bicarbonate; In 1,4-dioxane; at 20 ℃; for 12h;

Reference yield:

→ 9H-Xanthene-9-carboxamide (5813-90-1)

Guidance literature:

aus 9-Cyan-xanthen mit sd. wss.-aethanol. KOH (20 Min.);

upstream raw materials:

9H-xanthene-9-carboxylic acid methyl ester

xanthene-9-carboxylic acid

Downstream raw materials:

xanthene-9-carboxylic acid

9H-Xanthene-9-carbonitrile

Refernces

• 1、 -. "ATM AND ATR INHIBITOR". Page/Page column 38-39. . Retrieved 2008/06/13.