4-tert-Butyl-1-(ethoxycarbonylmethoxy)thiacalix[4]arene

Base Information

• Chemical Name: 4-tert-Butyl-1-(ethoxycarbonylmethoxy)thiacalix[4]arene
• CAS No.: 210706-03-9
• Molecular Formula: C₅₆H₇₂O₁₂S₄
• Molecular Weight: 1065.44
• DSSTox Substance ID: DTXSID80413134
• Nikkaji Number: J1.044.667H
• Mol file: 210706-03-9.mol

Synonyms:210706-03-9;4-tert-Butyl-1-(ethoxycarbonylmethoxy)thiacalix[4]arene;ethyl 2-[[5,11,17,23-tetratert-butyl-26,27,28-tris(2-ethoxy-2-oxoethoxy)-2,8,14,20-tetrathiapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaen-25-yl]oxy]acetate;starbld0009505;AGN-PC-0LP4U9;DTXSID80413134;MFCD06797059;AKOS026706014;T70559;J-700388;4-t-butyl-1-(ethoxycarbonylmethoxy)thiacalix[4]arene;F1170-0436;4-tert-Butyl-1-(ethoxycarbonylmethoxy) thiacalix[4]arene;Tetra-tert-butyl[tetrakis(ethoxycarbonylmethoxy)]tetrathiacalix[4]arene;252287-26-6;Acetic acid, 2,2',2'',2'''-[[5,11,17,23-tetrakis(1,1-dimethylethyl)-2,8,14,20-tetrathiapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene-25,26,27,28-tetrayl]tetrakis(oxy)]tetrakis-, 1,1',1'',1'''-tetraethyl ester, stereoisomer;ethyl 2-[[5, 11, 17, 23-tetratert-butyl-26, 27, 28-tris(2-ethoxy-2-oxoethoxy)-2, 8, 14, 20-tetrathiapentacyclo[19.3.1.13, 7.19, 13.115, 19]octacosa-1(24), 3, 5, 7(28), 9, 11, 13(27), 15(26), 16, 18, 21(25), 22-dodecaen-25-yl]oxy]acetate;ethyl 2-{[5,11,17,23-tetra-tert-butyl-26,27,28-tris(2-ethoxy-2-oxoethoxy)-2,8,14,20-tetrathiapentacyclo[19.3.1.1?,?.1?,??.1??,??]octacosa-1(25),3(28),4,6,9,11,13(27),15(26),16,18,21,23-dodecaen-25-yl]oxy}acetate;Tetraethyl 2,2',2'',2'''-((15,35,55,75-tetra-tert-butyl-2,4,6,8-tetrathia-1,3,5,7(1,3)-tetrabenzenacyclooctaphane-12,32,52,72-tetrayl)tetrakis(oxy))tetraacetate

Chemical Property of 4-tert-Butyl-1-(ethoxycarbonylmethoxy)thiacalix[4]arene

Chemical Property:

• Boiling Point: 955.4±65.0 °C(Predicted)
• Flash Point: 470.7oC
• PSA: 243.32000
• Density: 1.177±0.06 g/cm3(Predicted)
• LogP: 13.56240
• XLogP3: 16
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 16
• Rotatable Bond Count: 24
• Exact Mass: 1064.39066242
• Heavy Atom Count: 72
• Complexity: 1440

Purity/Quality:

97% ^*data from raw suppliers

4-tert-Butyl-1-(ethoxycarbonylmethoxy)thiacalix[4]arene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)COC1=C2C=C(C=C1SC3=CC(=CC(=C3OCC(=O)OCC)SC4=CC(=CC(=C4OCC(=O)OCC)SC5=C(C(=CC(=C5)C(C)(C)C)S2)OCC(=O)OCC)C(C)(C)C)C(C)(C)C)C(C)(C)C
• Uses: 4-tert-Butyl-1-(ethoxycarbonylmethoxy)thiacalix[4]arene (CAS# 210706-03-9) is a calixarene capable of self-assembly into water-soluble nanoparticles with silver nitrate and fluorescein.

Technology Process of 4-tert-Butyl-1-(ethoxycarbonylmethoxy)thiacalix[4]arene

There total 4 articles about 4-tert-Butyl-1-(ethoxycarbonylmethoxy)thiacalix[4]arene 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: 96.0%

ethyl bromoacetate (105-36-2) + tert-butylthiacalix[4]arene (182496-55-5) → 5,11,17,23-tetra-tert-butyl-25,26,27,28-tetrakis[(ethoxycarbonyl)methoxy]-2,8,14,20-tetrathiacalix[4]arene (210706-03-9,210780-04-4,210780-05-5,210780-06-6,252287-26-6)

Guidance literature:

With caesium carbonate; In acetone; for 4h; Heating;

DOI:10.1039/a803734e

Reference yield: 62.0%

chloroacetic acid ethyl ester (105-39-5) + tert-butylthiacalix[4]arene (182496-55-5) → 5,11,17,23-tetra-tert-butyl-25,26,27,28-tetrakis[(ethoxycarbonyl)methoxy]-2,8,14,20-tetrathiacalix[4]arene (210706-03-9,210780-04-4,210780-05-5,210780-06-6,252287-26-6)

Guidance literature:

tert-butylthiacalix[4]arene; With potassium carbonate; potassium iodide; In acetone; for 0.5h; Reflux; Inert atmosphere;

chloroacetic acid ethyl ester; In acetone; for 120h; Reflux;

DOI:10.1007/s10847-009-9652-4

Reference yield: 7.0%

ethyl bromoacetate (105-36-2) + tert-butylthiacalix[4]arene (182496-55-5) → 5,11,17,23-tetra-tert-butyl-25,26,27-tris[(ethoxycarbonyl)methoxy]-2,8,14,20-tetrathiacalix[4]arene + 5,11,17,23-tetra-tert-butyl-25,26,27,28-tetrakis[(ethoxycarbonyl)methoxy]-2,8,14,20-tetrathiacalix[4]arene (210706-03-9,210780-04-4,210780-05-5,210780-06-6,252287-26-6) + distal-5,11,17,23-tetra-tert-butyl-25,27-bis[(ethoxycarbonyl)methoxy]-26,28-dihydroxy-2,8,14,20-tetrathiacalix[4]arene (270085-37-5,252253-24-0)

Guidance literature:

With sodium carbonate; In acetone; for 24h; Heating;

DOI:10.1039/b501587a

upstream raw materials:

ethyl bromoacetate

tert-butylthiacalix[4]arene

para-tert-butylphenol

chloroacetic acid ethyl ester

Downstream raw materials:

5,11,17,23-tetra-tert-butyl-25,27-bis[(4-nitrobenzylidene)-hydrazinocarbonylmethyloxy]-26,28-[N,N'-hydrazinylene-bis(carbonylmethyleneoxy)]-2,8,14,20-tetrathiacalix[4]arene

tetrakis[(4-methylphenyl)sulfonyloxyethoxy]-p-tert-butylthiacalix[4]arene