p-Fluorobenzyl chloroformate

Base Information

• Chemical Name: p-Fluorobenzyl chloroformate
• CAS No.: 105416-91-9
• Molecular Formula: C₈H₆ClFO₂
• Molecular Weight: 188.586
• European Community (EC) Number: 844-812-0
• Mol file: 105416-91-9.mol

Synonyms:p-fluorobenzyl chloroformate;4-fluorobenzyl carbonochloridate;105416-91-9;(4-fluorophenyl)methyl carbonochloridate;4-Fluorobenzyl Chloroformate;4-fluorobenzylcarbonochloridate;SCHEMBL136005;CNDKJCOMEMJVKI-UHFFFAOYSA-N;(4-fluorophenyl)methyl chloroformate;EN300-651555

Chemical Property of p-Fluorobenzyl chloroformate

Chemical Property:

• Boiling Point: 230.1±23.0 °C(Predicted)
• Density: 1.334±0.06 g/cm3(Predicted)
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 188.0040353
• Heavy Atom Count: 12
• Complexity: 155

Purity/Quality:

95% ^*data from raw suppliers

4-Fluorobenzylcarbonochloridate 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=CC=C1COC(=O)Cl)F

Technology Process of p-Fluorobenzyl chloroformate

There total 3 articles about p-Fluorobenzyl 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: 95.0%

4-fluorobenzylic alcohol (459-56-3) + bis(trichloromethyl) carbonate (32315-10-9) → 4-fluorobenzyl chloroformate (105416-91-9)

Guidance literature:

With triethylamine; In dichloromethane; at 0 - 20 ℃; Inert atmosphere;

DOI:10.1039/c9ob00628a

Reference yield:

phosgene (75-44-5) + 4-fluorobenzylic alcohol (459-56-3) → 4-fluorobenzyl chloroformate (105416-91-9)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In diethyl ether;

DOI:10.1016/j.bmcl.2004.08.027

Reference yield:

Carbonic acid mono-(4-fluoro-benzyl) ester (120680-97-9) → 4-fluorobenzyl chloroformate (105416-91-9)

Guidance literature:

With thionyl chloride; at 90 ℃; for 3h;

DOI:10.1248/cpb.36.4426

upstream raw materials:

Carbonic acid mono-(4-fluoro-benzyl) ester

phosgene

4-fluorobenzylic alcohol

bis(trichloromethyl) carbonate

Downstream raw materials:

N-p-fluorocarbobenzoxy-L-tryptophan

C₃₃H₄₂FN₃O₄

C₁₇H₂₁FN₂O₅

4-(4-acryloylaminobenzenesulfonyl)piperazine-1-carboxylic acid 4-fluorobenzyl ester

Refernces

• 1、 -. "COLCHICINE DERIVATIVES OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, METHOD FOR PREPARING SAID DERIVATIVES, AND PHARMACEUTICAL COMPOSITION COMPRISING SAID DERIVATIVES". Paragraph 0091; 0092; 0093; 0094. . Retrieved 2013/03/26.
• 2、 Scott, Jill M.,Baccei, Christopher,Bain, Gretchen,Broadhead, Alex,Evans, Jilly F.,Fagan, Patrick,Hutchinson, John H.,King, Christopher,Lorrain, Daniel S.,Lee, Catherine,Prasit, Peppi,Prodanovich, Pat,Santini, Angelina,Santini, Brian A.. "Discovery and optimization of a biphenylacetic acid series of prostaglandin D2 receptor DP2 antagonists with efficacy in a murine model of allergic rhinitis". scheme or table. p. 6608 - 6612. Retrieved 2011/12/04.