methyl 9H-xanthene-9-carboxylate

Base Information

• Chemical Name: methyl 9H-xanthene-9-carboxylate
• CAS No.: 39497-06-8
• Molecular Formula: C15H12O3
• Molecular Weight: 240.258
• Hs Code.: 2932999099
• European Community (EC) Number: 809-383-6
• DSSTox Substance ID: DTXSID20351420
• Nikkaji Number: J47.579C
• Wikidata: Q63399226
• Mol file: 39497-06-8.mol

Synonyms:methyl 9H-xanthene-9-carboxylate;39497-06-8;Methyl xanthanoate;methyl xanthene-9-carboxylate;Xanthene-9-carboxylic acid methyl ester;9H-xanthene-9-carboxylic acid methyl ester;Maybridge4_003227;methyl 9-xanthenecarboxylate;Methylxanthene-9-carboxylate;Oprea1_627505;SCHEMBL2596509;DTXSID20351420;RFHABUQANXJNQS-UHFFFAOYSA-N;HMS1530C15;CS-M2864;MFCD00100676;STK424586;AKOS003271539;CCG-249032;AC-15620;CS-13636;AM20040366;FT-0657189;ETHYL2-[(4-METHYLBENZOYL)AMINO]ACETATE;I11204;Xanthene-9-Carboxylic Methylester Acid Meester;A824574;BRD-K00999572-001-01-4;Q63399226

Chemical Property of methyl 9H-xanthene-9-carboxylate

Chemical Property:

• Vapor Pressure: 0.000155mmHg at 25°C
• Refractive Index: 1.597
• Boiling Point: 331.5 °C at 760 mmHg
• Flash Point: 136.8 °C
• PSA: 35.53000
• Density: 1.234 g/cm³
• LogP: 3.09720
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 240.078644241
• Heavy Atom Count: 18
• Complexity: 293

Purity/Quality:

99% ^*data from raw suppliers

Methyl9H-Xanthene-9-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC(=O)C1C2=CC=CC=C2OC3=CC=CC=C13

Technology Process of methyl 9H-xanthene-9-carboxylate

There total 7 articles about methyl 9H-xanthene-9-carboxylate 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: 97.0%

xanthene-9-carboxylic acid (82-07-5) + methyl iodide (74-88-4) → 9H-xanthene-9-carboxylic acid methyl ester (39497-06-8)

Guidance literature:

With caesium carbonate; In N,N-dimethyl-formamide; at 20 ℃; for 1h; Inert atmosphere;

DOI:10.1021/jm301706j

Reference yield: 74.0%

methyl iodide (74-88-4) → 9H-xanthene-9-carboxylic acid methyl ester (39497-06-8)

Guidance literature:

With ethanol; sodium;

xanthene-9-carboxylic acid; In ethanol; at 20 ℃; for 1h;

methyl iodide; In DMF (N,N-dimethyl-formamide); at 20 ℃; for 24h;

Reference yield: 74.0%

C14H9O3(1-)*Na(1+) (60690-85-9) + methyl iodide (74-88-4) → 9H-xanthene-9-carboxylic acid methyl ester (39497-06-8)

Guidance literature:

In N,N-dimethyl-formamide; at 20 ℃; for 24h;

upstream raw materials:

methanol

xanthene-9-carboxylic acid

dimethyl sulfate

methyl iodide

Downstream raw materials:

9H-Xanthene-9-carboxylic acid (S)-(1-aza-bicyclo[2.2.2]oct-3-yl) ester

9H-xanthene-9-carboxylic acid hydrazide

9-methyl-9H-xanthene-9-carboxylic acid benzylamide

benzyl-(9-methyl-9H-xanthen-9-ylmethyl)-amine

Refernces

• 1、 -. "3 -M0N0- AND 3 , 5-DISUBSTITUTED PIPERIDINE DERIVATIVES AS RENIN INHIBITORS". Page/Page column 74. . Retrieved 2010/11/24.
• 2、 -. "MEDICAMENTS FOR INHALATION COMPRISING ANTICHOLINERGICS AND A BETAMIMETIC". Page/Page column 46; 52. . Retrieved 2008/06/13.