(BENZO-15-CROWN 5-ETHER)-4'-CARBOXYLIC ACID

Base Information

• Chemical Name: (BENZO-15-CROWN 5-ETHER)-4'-CARBOXYLIC ACID
• CAS No.: 56683-55-7
• Molecular Formula: C15H19O7-
• Molecular Weight: 312.32
• Hs Code.: 29329990
• DSSTox Substance ID: DTXSID40972131
• Wikidata: Q72515443

Synonyms:2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-triene-17-carboxylic acid;

Chemical Property of (BENZO-15-CROWN 5-ETHER)-4'-CARBOXYLIC ACID

Chemical Property:

• Vapor Pressure: 9.9E-11mmHg at 25°C
• Melting Point: 188-191oC
• Refractive Index: 1.6380 (estimate)
• Boiling Point: 497.9°Cat760mmHg
• PKA: 4.25±0.20(Predicted)
• Flash Point: 183.2°C
• PSA: 83.45000
• Density: g/cm³
• LogP: 1.20580
• Storage Temp.: 2-8°C
• Solubility.: almost transparency in hot Methanol
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 0
• Exact Mass: 311.11307794
• Heavy Atom Count: 22
• Complexity: 318

Purity/Quality:

97% ^*data from raw suppliers

4''-Carboxybenzo-15-crown-5 ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 24/25-36-26

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1COCCOC2=C(C=C(C=C2)C(=O)[O-])OCCOCCO1
• Uses: 4''-Carboxybenzo-15-crown-5 is a versatile crown ether used as a reactant in the preparation of β-diketone Gadolinium chelates for the detection of K+ or Mg2+ and Ca2+ ions.

Technology Process of (BENZO-15-CROWN 5-ETHER)-4'-CARBOXYLIC ACID

There total 5 articles about (BENZO-15-CROWN 5-ETHER)-4'-CARBOXYLIC ACID 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:

C21H23NO9*K(1+) → 4-nitro-phenol (100-02-7,78813-13-5,89830-32-0) + 2,3-(4'-carboxybenzo)-1,4,7,10,13-pentaoxacyclopentadeca-2-ene (56683-55-7)

Guidance literature:

With lithium hydroxide; In ethanol; water; at 25 ℃; Rate constant;

Reference yield:

C21H23NO9*Na(1+) → 4-nitro-phenol (100-02-7,78813-13-5,89830-32-0) + 2,3-(4'-carboxybenzo)-1,4,7,10,13-pentaoxacyclopentadeca-2-ene (56683-55-7)

Guidance literature:

With lithium hydroxide; In ethanol; water; at 25 ℃; Rate constant;

Reference yield:

C21H23NO9*Cs(1+) → 4-nitro-phenol (100-02-7,78813-13-5,89830-32-0) + 2,3-(4'-carboxybenzo)-1,4,7,10,13-pentaoxacyclopentadeca-2-ene (56683-55-7)

Guidance literature:

With lithium hydroxide; In ethanol; water; at 25 ℃; Rate constant;

upstream raw materials:

4'-(4-nitrophenoxycarbonyl)benzo-15-crown-5

Downstream raw materials:

2-Hydroxymethyl-6,7,9,10,12,13,15,16-octahydro-1,4,7,10,13-pentaoxabenzocyclopentadecene

6,7,9,10,12,13,15,16-Octahydro-5,8,11,14,17-pentaoxa-benzocyclopentadecene-2-carboxylic acid 11-[4-(4-hydroxy-phenylazo)-phenoxy]-undecyl ester

methyl (benzo-15-crown-5)-15-carboxylate

6,7,9,10,12,13,15,16-Octahydro-5,8,11,14,17-pentaoxa-benzocyclopentadecene-2-carboxylic acid (4aR,6S,7R,8S,8aS)-8-hydroxy-6-methoxy-2-phenyl-hexahydro-pyrano[3,2-d][1,3]dioxin-7-yl ester

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