tert-Butyl 2,4,5-trichlorophenyl carbonate

Base Information

• Chemical Name: tert-Butyl 2,4,5-trichlorophenyl carbonate
• CAS No.: 16965-08-5
• Molecular Formula: C11H11 Cl3 O3
• Molecular Weight: 297.566
• Hs Code.: 2920909090
• European Community (EC) Number: 241-039-5
• UNII: H3JB4NV3SV
• DSSTox Substance ID: DTXSID7066140
• Nikkaji Number: J149.826F
• Mol file: 16965-08-5.mol

Synonyms:16965-08-5;tert-Butyl 2,4,5-trichlorophenyl carbonate;Carbonic Acid tert-Butyl 2,4,5-Trichlorophenyl Ester;tert-butyl (2,4,5-trichlorophenyl) carbonate;Carbonic acid, 1,1-dimethylethyl 2,4,5-trichlorophenyl ester;t-Butyl 2,4,5-trichlorophenyl carbonate;H3JB4NV3SV;EINECS 241-039-5;Carbonic acid tert-butyl ester 2,4,5-trichloro-phenyl ester;t-butyl 2,4,5-trichlorophenylcarbonate;2,4,5-trichlorophenyl (tert-butoxy)formate;UNII-H3JB4NV3SV;SCHEMBL1984953;DTXSID7066140;LJFPGBIHDPZHIN-UHFFFAOYSA-;MFCD00000550;AKOS015840262;FT-0637466;D89433;tert-Butyl 2,4,5-trichlorophenyl carbonate, 99%;1-(tert-Butoxycarbonyloxy)-2,4,5-trichlorobenzene;J-010573;1,1-DIMETHYLETHYL 2,4,5-TRICHLOROPHENYL CARBONATE;CARBONIC ACID, TERT-BUTYL 2,4,5-TRICHLOROPHENYL ESTER

Chemical Property of tert-Butyl 2,4,5-trichlorophenyl carbonate

Chemical Property:

• Vapor Pressure: 3.26E-05mmHg at 25°C
• Melting Point: 66-68 °C(lit.)
• Boiling Point: 354.8°Cat760mmHg
• Flash Point: 138.8°C
• PSA: 35.53000
• Density: 1.359g/cm³
• LogP: 4.96070
• Storage Temp.: 2-8°C
• XLogP3: 4.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 295.977377
• Heavy Atom Count: 17
• Complexity: 278

Purity/Quality:

98% ^*data from raw suppliers

tert-Butyl 2,4,5-Trichlorophenyl Carbonate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)OC1=CC(=C(C=C1Cl)Cl)Cl

Technology Process of tert-Butyl 2,4,5-trichlorophenyl carbonate

There total 3 articles about tert-Butyl 2,4,5-trichlorophenyl carbonate 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: 72.0%

→ dicyclohexylamine salt of N-t-butyloxycarbonyl D-methionine (61315-59-1,51537-18-9) + 1,1-dimethylethyl 2,4,5-trichlorophenyl carbonate (16965-08-5)

Guidance literature:

Reference yield:

2,4,5-Trichlorophenyl chloroformate (16947-69-6) + tert-butyl alcohol (75-65-0) → 1,1-dimethylethyl 2,4,5-trichlorophenyl carbonate (16965-08-5)

Guidance literature:

With quinoline; In dichloromethane;

DOI:10.1039/j39670002632

Reference yield:

→ 1,1-dimethylethyl 2,4,5-trichlorophenyl carbonate (16965-08-5)

Guidance literature:

Chlorameisensaeure-2,4,5-trichlorphenylester, tert-Butanol, Chinolin;

upstream raw materials:

2,4,5-Trichlorophenyl chloroformate

tert-butyl alcohol

Downstream raw materials:

N-(tert-butoxycarbonyl)sarcosine

L-N-Boc-Ala

t-Boc-L-valine

N-tert-butoxycarbonyl-L-leucine

Refernces