Hexachloromethyl-hexamethoxycalix-[6]arene

Base Information

• Chemical Name: Hexachloromethyl-hexamethoxycalix-[6]arene
• CAS No.: 124006-38-8
• Molecular Formula: C₅₄H₅₄Cl₆O₆
• Molecular Weight: 1011.74
• DSSTox Substance ID: DTXSID60376435
• Nikkaji Number: J1.072.152K
• Wikidata: Q82165367
• Mol file: 124006-38-8.mol

Synonyms:Hexachloromethyl-hexamethoxycalix-[6]arene;124006-38-8;5,11,17,23,29,35-hexakis(chloromethyl)-37,38,39,40,41,42-hexamethoxyheptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(36),3,5,7(42),9,11,13(41),15,17,19(40),21(39),22,24,27(38),28,30,33(37),34-octadecaene;SCHEMBL6395446;DTXSID60376435;FT-0701583;F1170-0414;5,11,17,23,29,35-Hexakis(chloromethyl)-37,38,39,40,41,42-hexamethoxy-3,7:9,13:15,19:21,25:27,31:33,1-hexamethenocyclohexatriaconta-3,5,9,11,15,17,21,23,27,29,33,35-dodecene;5,11,17,23,29,35-hexakis(chloromethyl)-37,38,39,40,41,42-hexamethoxyheptacyclo[31.3.1.1?,?.1?,??.1??,??.1??,??.1??,??]dotetraconta-1(37),3,5,7(42),9,11,13(41),15(40),16,18,21(39),22,24,27(38),28,30,33,35-octadecaene

Chemical Property of Hexachloromethyl-hexamethoxycalix-[6]arene

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 1055°Cat760mmHg
• Flash Point: 193.6°C
• PSA: 55.38000
• Density: 1.251g/cm³
• LogP: 14.02920
• XLogP3: 13.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 12
• Exact Mass: 1010.202205
• Heavy Atom Count: 66
• Complexity: 1080

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C2CC3=CC(=CC(=C3OC)CC4=CC(=CC(=C4OC)CC5=C(C(=CC(=C5)CCl)CC6=C(C(=CC(=C6)CCl)CC7=C(C(=CC(=C7)CCl)CC1=CC(=C2)CCl)OC)OC)OC)CCl)CCl

Technology Process of Hexachloromethyl-hexamethoxycalix-[6]arene

There total 3 articles about Hexachloromethyl-hexamethoxycalix-[6]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: 90.0%

octyl chloromethyl ether (24566-90-3) + 37,38,39,40,41,42-hexamethoxycalix<6>arene (106750-73-6) → 37,38,39,40,41,42-hexamethoxy-5,11,17,23,29,35-hexakis(chloromethyl)calix<6>arene (124006-38-8)

Guidance literature:

With tin(IV) chloride; In chloroform; for 1h; Ambient temperature;

DOI:10.1016/S0040-4020(01)80077-6

Reference yield: 86.0%

37,38,39,40,41,42-hexamethoxycalix<6>arene (106750-73-6) + chloromethyl methyl ether (107-30-2) → 37,38,39,40,41,42-hexamethoxy-5,11,17,23,29,35-hexakis(chloromethyl)calix<6>arene (124006-38-8)

Guidance literature:

With tin(IV) chloride; In chloroform;

DOI:10.1016/0040-4039(95)02105-1

Reference yield:

octyl chloromethyl ether (24566-90-3) + 5,11,17,23,29,35-hexakis(tert-butyl)-37,38,39,40,41-hexakis(hydroxy)calix[6]arene (189832-67-5,78092-53-2) → 37,38,39,40,41,42-hexamethoxy-5,11,17,23,29,35-hexakis(chloromethyl)calix<6>arene (124006-38-8)

Guidance literature:

With tin(IV) chloride;

upstream raw materials:

octyl chloromethyl ether

37,38,39,40,41,42-hexamethoxycalix<6>arene

chloromethyl methyl ether

5,11,17,23,29,35-hexakis(tert-butyl)-37,38,39,40,41-hexakis(hydroxy)calix[6]arene