T-Butyl trans-17-bromo-4 7 10 13-tetraox

Base Information

• Chemical Name: T-Butyl trans-17-bromo-4 7 10 13-tetraox
• CAS No.: 166668-33-3
• Molecular Formula: C₁₇H₃₁BrO₆
• Molecular Weight: 411.334
• Hs Code.: 2918300090
• DSSTox Substance ID: DTXSID50694539
• Mol file: 166668-33-3.mol

Synonyms:T-BUTYL TRANS-17-BROMO-4 7 10 13-TETRAOX;166668-33-3;tert-butyl 3-[2-[2-[2-(4-bromobut-2-enoxy)ethoxy]ethoxy]ethoxy]propanoate;DTXSID50694539;ZCDCGWNGIROULA-UHFFFAOYSA-N;tert-Butyl 17-bromo-4,7,10,13-tetraoxaheptadec-15-en-1-oate;3-(2-{2-[2-(4-bromo-but-2-enyloxy)-ethoxy]-ethoxy}-ethoxy)-propionic acid tert-butyl ester

Chemical Property of T-Butyl trans-17-bromo-4 7 10 13-tetraox

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: n20/D 1.475
• Boiling Point: 442.335°C at 760 mmHg
• Flash Point: 221.317°C
• PSA: 63.22000
• Density: 1.182 g/mL at 20 °C(lit.)
• LogP: 2.73570
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 17
• Exact Mass: 410.13040
• Heavy Atom Count: 24
• Complexity: 328

Purity/Quality:

97% ^*data from raw suppliers

TERT-BUTYL TRANS-17-BROMO-4,7,10,13-TETRAOXA-15-HEPTADECENOATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)CCOCCOCCOCCOCC=CCBr

Technology Process of T-Butyl trans-17-bromo-4 7 10 13-tetraox

There total 4 articles about T-Butyl trans-17-bromo-4 7 10 13-tetraox 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: 45.0%

(E)-1,4-dibromobutene (821-06-7) + 3-{2-[2-(2-hydroxy-ethoxy)-ethoxy]-ethoxy}-propionic acid tert-butyl ester (186020-66-6,892154-71-1) → (E)-17-bromo-4,7,10,13-tetraoxa-15-heptadecenoic acid tert-butyl ester (166668-33-3)

Guidance literature:

With sodium hydroxide; tetra(n-butyl)ammonium hydrogensulfate; In dichloromethane; water; for 0.75h;

DOI:10.1021/jo960743w

Reference yield:

tert-Butyl acrylate (1663-39-4,25232-27-3) → (E)-17-bromo-4,7,10,13-tetraoxa-15-heptadecenoic acid tert-butyl ester (166668-33-3)

Guidance literature:

Multi-step reaction with 2 steps

1: 86 percent / Na / tetrahydrofuran / 20 h

2: 45 percent / NaOH, Bu₄NHSO₄ / H₂O; CH₂Cl₂ / 0.75 h

With sodium hydroxide; tetra(n-butyl)ammonium hydrogensulfate; sodium; In tetrahydrofuran; dichloromethane; water;

DOI:10.1021/jo960743w

Reference yield:

2,2'-[1,2-ethanediylbis(oxy)]bisethanol (112-27-6) → (E)-17-bromo-4,7,10,13-tetraoxa-15-heptadecenoic acid tert-butyl ester (166668-33-3)

Guidance literature:

Multi-step reaction with 2 steps

1: 86 percent / Na / tetrahydrofuran / 20 h

2: 45 percent / NaOH, Bu₄NHSO₄ / H₂O; CH₂Cl₂ / 0.75 h

With sodium hydroxide; tetra(n-butyl)ammonium hydrogensulfate; sodium; In tetrahydrofuran; dichloromethane; water;

DOI:10.1021/jo960743w

upstream raw materials:

(E)-1,4-dibromobutene

tert-Butyl acrylate

2,2'-[1,2-ethanediylbis(oxy)]bisethanol

3-{2-[2-(2-hydroxy-ethoxy)-ethoxy]-ethoxy}-propionic acid tert-butyl ester

Downstream raw materials:

(E)-17-[N-(9-fluorenylmethoxycarbonyl)-L-alanyloxy]-4,7,10,13-tetraoxa-15-heptadecenoyl-β-alanine phenacyl ester

(E)-17-[N-(9-fluorenylmethoxycarbonyl)-O-tert-butyl-L-threonyloxy]-4,7,10,13-tetraoxa-15-heptadecenoic acid phenacyl ester

(E)-17-[N-(tert-butyloxycarbonyl)-L-alanyloxy]-4,7,10,13-tetraoxa-15-heptadecenoyl-β-alanine phenacyl ester

(E)-17-bromo-4,7,10,13-tetraoxa-15-heptadecenoyl-β-alanine phenacyl ester