9H-xanthene-9-carbonyl chloride

Base Information

• Chemical Name: 9H-xanthene-9-carbonyl chloride
• CAS No.: 26454-53-5
• Molecular Formula: C14H9ClO2
• Molecular Weight: 244.677
• Hs Code.: 2932999099
• DSSTox Substance ID: DTXSID70375398
• Wikidata: Q82163927
• Mol file: 26454-53-5.mol

Synonyms:9H-xanthene-9-carbonyl chloride;26454-53-5;9H-Xanthene-9-carbonylchloride;xanthene-9-carbonyl chloride;SCHEMBL4777998;DTXSID70375398;JYRSCMLJPXJTLI-UHFFFAOYSA-N;9-xanthene-carboxylic acid chloride;BBA45453;xanthene-9-carboxylic acid chloride;9h-xanthene-carboxylic acid chloride;MFCD03424721;AKOS023093086;9H-xanthene-9-carbonyl chloride, AldrichCPR;EN300-239800;F2190-0127

Chemical Property of 9H-xanthene-9-carbonyl chloride

Chemical Property:

• Vapor Pressure: 0.0001mmHg at 25°C
• Refractive Index: 1.625
• Boiling Point: 338.1 °C at 760 mmHg
• Flash Point: 125.3 °C
• PSA: 26.30000
• Density: 1.335 g/cm³
• LogP: 3.68960
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 244.0291072
• Heavy Atom Count: 17
• Complexity: 283

Purity/Quality:

98% ^*data from raw suppliers

9H-XANTHENE-9-CARBONYLCHLORIDE 95 ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 9H-xanthene-9-carbonyl chloride

There total 2 articles about 9H-xanthene-9-carbonyl chloride 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: 100.0%

xanthene-9-carboxylic acid (82-07-5) → 9H-xanthene-9-carbonyl chloride (26454-53-5)

Guidance literature:

With oxalyl dichloride; N,N-dimethyl-formamide; In chloroform; at 0 - 20 ℃;

DOI:10.1021/jm900132z

Reference yield: 91.6%

→ 9H-xanthene-9-carbonyl chloride (26454-53-5)

Guidance literature:

Reference yield: 80.0%

9H-xanthene-9-carbonyl chloride (26454-53-5) + (4-Methoxy-phenyl)-((1R,5S,8R)-3-phenethyl-3-aza-bicyclo[3.2.1]oct-8-yl)-amine (156489-96-2) → 3-phenethyl-8-β--3-azabicyclo<3.2.1>octane

Guidance literature:

In dichloromethane; for 4h; Heating;

DOI:10.1002/jhet.5570310209

upstream raw materials:

xanthene-9-carboxylic acid

Downstream raw materials:

1-(xanthene-9-carbonyl)-pyrrolidine

1-methyl-4-(xanthene-9-carbonyl)-piperazine

xanthene-9-carboxylic acid-[benzyl-(2-diethylamino-ethyl)-amide]; hydrochloride

xanthene-9-carboxylic acid-[N-(2-diethylamino-ethyl)-anilide]; hydrochloride

Refernces

• 1、 -. "NEW PYRROLIDINIUM DERIVATIVES". Page/Page column 28. . Retrieved 2010/02/07.
• 2、 Rochlin, Elimelech,Rappoport, Zvi. "Substituted xanthenylidene enols. The importance of β-Ar-C=C conjugation in the stabilization of aryl-substituted enols". . p. 230 - 241. Retrieved 2007/10/02.