2-[(Diisopropyl)amino]ethyl 9H-xanthene-9-carboxylate

Base Information

• Chemical Name: 2-[(Diisopropyl)amino]ethyl 9H-xanthene-9-carboxylate
• CAS No.: 13347-41-6
• Molecular Formula: C22H27 N O3
• Molecular Weight: 353.461
• Hs Code.: 2932999099
• European Community (EC) Number: 236-394-8
• DSSTox Substance ID: DTXSID70928126
• Nikkaji Number: J213.859J
• Wikidata: Q82902859
• Mol file: 13347-41-6.mol

Synonyms:13347-41-6;2-[(DIISOPROPYL)AMINO]ETHYL 9H-XANTHENE-9-CARBOXYLATE;2-[di(propan-2-yl)amino]ethyl 9H-xanthene-9-carboxylate;EINECS 236-394-8;2-((Diisopropyl)amino)ethyl 9H-xanthene-9-carboxylate;9H-Xanthene-9-carboxylic acid, 2-(bis(1-methylethyl)amino)ethyl ester;9H-Xanthene-9-carboxylic acid, 2-[bis(1-methylethyl)amino]ethyl ester;DTXSID70928126;2-di-isopropylaminoethylxanthen-9-carboxylate;2-(Diisopropylamino)ethyl 9H-xanthene-9-carboxylate #;Xanthene-9-carboxylic acid, 2-diisopropylaminoethyl ester;9H-Xanthene-9-carboxylic acid, 2-diisopropylaminoethyl ester;9H-Xanthene-9-carboxylic acid 2-[bis(1-methylethyl)amino]ethyl ester

Chemical Property of 2-[(Diisopropyl)amino]ethyl 9H-xanthene-9-carboxylate

Chemical Property:

• Vapor Pressure: 3.42E-08mmHg at 25°C
• Boiling Point: 447.2°C at 760 mmHg
• Flash Point: 224.3°C
• PSA: 38.77000
• Density: 1.11g/cm³
• LogP: 4.58620
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 353.19909372
• Heavy Atom Count: 26
• Complexity: 434

Purity/Quality:

99% ^*data from raw suppliers

2-(Diisopropylamino)ethanolXanthene-9-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)N(CCOC(=O)C1C2=CC=CC=C2OC3=CC=CC=C13)C(C)C
• Uses: 2-(Diisopropylamino)ethanol Xanthene-9-carboxylate is used in the preparation of deuterium-labelled propantheline bromide as well as potential antispasmodic agents.

Technology Process of 2-[(Diisopropyl)amino]ethyl 9H-xanthene-9-carboxylate

There total 3 articles about 2-[(Diisopropyl)amino]ethyl 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:

xanthene-9-carboxylic acid (82-07-5) + (2-chloroethyl)-diisopropylamine (96-79-7) → xanthene-9-carboxylic acid-(2-diisopropylamino-ethyl ester) (13347-41-6)

Guidance literature:

With chloroform;

DOI:10.1039/jr9570004823

Reference yield:

xanthene-9-carboxylic acid-(2-chloro-ethyl ester) + diisopropylamine (108-18-9) → xanthene-9-carboxylic acid-(2-diisopropylamino-ethyl ester) (13347-41-6)

Guidance literature:

at 110 ℃;

Reference yield:

xanthene-9-carboxylic acid (82-07-5) → xanthene-9-carboxylic acid-(2-diisopropylamino-ethyl ester) (13347-41-6)

Guidance literature:

Multi-step reaction with 2 steps

1: tetrachloromethane; sulfuric acid

2: 110 °C

With tetrachloromethane; sulfuric acid;

upstream raw materials:

xanthene-9-carboxylic acid

(2-chloroethyl)-diisopropylamine

diisopropylamine