2,4,6-Tri-tert-butylphenyl Chloroformate

Base Information

• Chemical Name: 2,4,6-Tri-tert-butylphenyl Chloroformate
• CAS No.: 4511-21-1
• Molecular Formula: C19H29ClO2
• Molecular Weight: 324.891
• DSSTox Substance ID: DTXSID301170788
• Nikkaji Number: J1.340.697I
• Mol file: 4511-21-1.mol

Synonyms:2,4,6-Tri-tert-butylphenyl Chloroformate;SCHEMBL3292544;DTXSID301170788;4511-21-1;SY296914;Carbonochloridic acid, 2,4,6-tris(1,1-dimethylethyl)phenyl ester

Chemical Property of 2,4,6-Tri-tert-butylphenyl Chloroformate

Chemical Property:

• XLogP3: 7.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 324.1856079
• Heavy Atom Count: 22
• Complexity: 371

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)C)OC(=O)Cl)C(C)(C)C

Technology Process of 2,4,6-Tri-tert-butylphenyl Chloroformate

There total 2 articles about 2,4,6-Tri-tert-butylphenyl Chloroformate 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%

phosgene (75-44-5) + 2,4,6-tri-tert-butylphenoxol (732-26-3) → 2,4,6-tri(tert-butyl)phenyl carbonochloridate (4511-21-1)

Guidance literature:

With n-butyllithium; at 0 ℃;

DOI:10.1039/c39940001365

Reference yield:

2,4,6-tri-tert-butylphenoxol (732-26-3) → 2,4,6-tri(tert-butyl)phenyl carbonochloridate (4511-21-1)

Guidance literature:

With pyridine; n-butyllithium; thiophosgene; Multistep reaction; 1) hexane, THF, 2) hexane, THF, 2 h;

Reference yield: 100.0%

2,4,6-tri(tert-butyl)phenyl carbonochloridate (4511-21-1) → C19H29N3O2

Guidance literature:

With sodium azide; In water; acetone; Heating;

DOI:10.1039/c39940001365

upstream raw materials:

phosgene

2,4,6-tri-tert-butylphenoxol

Downstream raw materials:

Carbonic acid 2-thioxo-2H-pyridin-1-yl ester 2,4,6-tri-tert-butyl-phenyl ester

C₁₉H₃₁NO₃

2,4,6-tris(t-butyl)phenyl N-(2-trimethylsilylethyl)carbamate

2,4,6-tris(t-butyl)phenyl N-(2-trimethylsilylethyl)-N-nitrosocarbamate