4-Nitrobenzyl chloroformate

Base Information

• Chemical Name: 4-Nitrobenzyl chloroformate
• CAS No.: 4457-32-3
• Molecular Formula: C8H6ClNO4
• Molecular Weight: 215.593
• Hs Code.: 2925.19
• European Community (EC) Number: 224-708-6
• UNII: DG2GS0JJV0
• DSSTox Substance ID: DTXSID6063482
• Nikkaji Number: J205.847B
• Wikidata: Q72494476
• Mol file: 4457-32-3.mol

Synonyms:4-Nitrobenzyl chloroformate;4457-32-3;4-Nitrobenzyl carbonochloridate;Carbonochloridic acid, (4-nitrophenyl)methyl ester;p-Nitrobenzyl chloroformate;4-Nitrobenzyl Chlorocarbonate;(4-nitrophenyl)methyl carbonochloridate;4-Nitrocarbobenzoxychloride;(4-nitrophenyl)methyl chloroformate;4-Nitrobenzyloxycarbonyl chloride;DG2GS0JJV0;Chloroformic Acid 4-Nitrobenzyl Ester;p-Nitrobenzyloxycarbonyl chloride;EINECS 224-708-6;Chloroformic acid p-nitrobenzyl ester;Formic acid, chloro-, p-nitrobenzyl ester;4nitrobenzyl chloroformate;UNII-DG2GS0JJV0;p-Nitrocarbobenzoxy chloride;p-nitrobenzyl chlorocarbonate;(4-nitrobenzyl)chloroformate;4-Nitrobenzylcarbonochloridate;4-(nitro)benzyl chloroformate;SCHEMBL158920;DTXSID6063482;MHSGOABISYIYKP-UHFFFAOYSA-;p-nitrobenzyloxy-carbonyl chloride;4-Nitrobenzyl chloridocarbonate #;4-Nitrobenzyl chloroformate, 97%;AMY28701;BCP28673;Chloroformic acid 4-nitrobenyl ester;MFCD00007375;AKOS015888117;AKOS024437890;CS-W014887;AS-11619;BP-24064;FT-0619220;EN300-66748;F15442;W-106188

Chemical Property of 4-Nitrobenzyl chloroformate

Chemical Property:

• Appearance/Colour: off-white to pale yellow powder
• Vapor Pressure: 0.000163mmHg at 25°C
• Melting Point: 32 °C
• Refractive Index: 1.552-1.556
• Boiling Point: 330.8 °C at 760 mmHg
• Flash Point: 153.8 °C
• PSA: 72.12000
• Density: 1.447 g/cm³
• LogP: 2.99340
• Storage Temp.: 2-8°C
• Sensitive.: Moisture Sensitive
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 214.9985354
• Heavy Atom Count: 14
• Complexity: 220

Purity/Quality:

99% ^*data from raw suppliers

4-Nitrobenzyl chloroformate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C, T
• Hazard Codes: C,T
• Statements: 34-37-23/24/25-36/37
• Safety Statements: 26-36/37/39-45-38-28A-27

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=CC=C1COC(=O)Cl)[N+](=O)[O-]

Technology Process of 4-Nitrobenzyl chloroformate

There total 3 articles about 4-Nitrobenzyl 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: 98.0%

phosgene (75-44-5) + 4-nitrobenzyl chloride (619-73-8) → 4-nitrobenzyl chloroformate (4457-32-3)

Guidance literature:

In dichloromethane; at 20 - 25 ℃; for 50h;

Reference yield: 85.0%

→ 4-nitrobenzyl chloroformate (4457-32-3)

Guidance literature:

Reference yield:

4-nitrobenzyl chloride (619-73-8) + trichloromethyl chloroformate (503-38-8) → 4-nitrobenzyl chloroformate (4457-32-3)

Guidance literature:

With dmap; In toluene; at 20 ℃; for 24h;

DOI:10.1016/j.bmc.2015.02.048

upstream raw materials:

phosgene

4-nitrobenzyl chloride

trichloromethyl chloroformate

Downstream raw materials:

3,5-dioxo-2-phenyl-piperazine-1-carboxylic acid-(4-nitro-benzyl ester)

p-nitrobenzyl methyl carbonate

P-NITROBENZYL CARBONATE

carbonic acid ethyl ester-(4-nitro-benzyl ester)

Refernces

• 1、 Wityak, John,Prime, Michael E.,Brookfield, Frederick A.,Courtney, Stephen M.,Erfan, Sayeh,Johnsen, Siw,Johnson, Peter D.,Li, Marie,Marston, Richard W.,Reed, Laura,Vaidya, Darshan,Schaertl, Sabine,Pedret-Dunn, Anna,Beconi, Maria,MacDonald, Douglas,Mu?oz-Sanjuan, Ignacio,Dominguez, Celia. "SAR development of lysine-based irreversible inhibitors of transglutaminase 2 for huntington's disease". supporting information. p. 1024 - 1028. Retrieved 2013/02/22.
• 2、 -. "NOVEL VINBLASTINE DERIVATIVES, THEIR PREPARATION, USE AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAID DERIVATIVES". Page/Page column 49. . Retrieved 2009/12/05.