1-Chloroethyl ethyl carbonate

Base Information

• Chemical Name: 1-Chloroethyl ethyl carbonate
• CAS No.: 50893-36-2
• Molecular Formula: C5H9ClO3
• Molecular Weight: 152.578
• Hs Code.: 29209090
• European Community (EC) Number: 256-832-1
• DSSTox Substance ID: DTXSID60885936
• Nikkaji Number: J24.069I
• Mol file: 50893-36-2.mol

Synonyms:1-Chloroethyl ethyl carbonate;50893-36-2;1-Chlorodiethyl Carbonate;Carbonic acid, 1-chloroethyl ethyl ester;1-chloroethylethylcarbonate;EINECS 256-832-1;MFCD00040523;Carbonic Acid 1-Chloroethyl Ethyl Ester;1-ethoxycarbonyloxyethyl chloride;1-chloroethyl ethoxyformate;1-chloroethyl ethylcarbonate;ethyl 1-chloroethyl carbonate;SCHEMBL644043;ethyl alphachloroethyl carbonate;ethyl (1-chloroethyl) carbonate;Ethyl alpha-chloroethyl carbonate;DTXSID60885936;1-(ethoxycarbonyloxy) ethylchloride;AC7896;AKOS015907754;CS-W016294;DS-4473;SY019843;C1056;FT-0607646;EN300-107550;1-Chloroethyl ethyl carbonate, >=98.0% (GC)

Chemical Property of 1-Chloroethyl ethyl carbonate

Chemical Property:

• Appearance/Colour: Clear pale yellowish liquid
• Vapor Pressure: 4.42mmHg at 25°C
• Melting Point: 159-161 °C
• Refractive Index: n20/D 1.413
• Boiling Point: 147.5 °C at 760 mmHg
• Flash Point: 50 °C
• PSA: 35.53000
• Density: 1.15 g/cm³
• LogP: 1.74430
• Storage Temp.: 2-8°C
• Solubility.: Chloroform
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 152.0240218
• Heavy Atom Count: 9
• Complexity: 94.2

Purity/Quality:

99% ^*data from raw suppliers

1-Chloroethyl Ethyl Carbonate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-28

MSDS Files:

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCOC(=O)OC(C)Cl

Technology Process of 1-Chloroethyl ethyl carbonate

There total 7 articles about 1-Chloroethyl ethyl 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: 97.0%

ethanol (64-17-5) + carbonochloridic acid 1-chloro-ethyl ester (50893-53-3) → 1-Chloroethyl ethyl carbonate (50893-36-2)

Guidance literature:

With pyridine; In dichloromethane; for 5h; Ambient temperature;

DOI:10.1055/s-1986-31724

Reference yield: 90.0%

→ 1-Chloroethyl ethyl carbonate (50893-36-2)

Guidance literature:

Reference yield: 64.0%

Carbonic acid ethyl ester 1-phenylsulfanyl-ethyl ester (185145-48-6) → 1-Chloroethyl ethyl carbonate (50893-36-2)

Guidance literature:

With sulfuryl dichloride; In dichloromethane; 1.) 0 deg C, 30 min, 2.) 1 h, RT;

DOI:10.3891/acta.chem.scand.50-1041

upstream raw materials:

ethanol

carbonochloridic acid 1-chloro-ethyl ester

chloroformic acid ethyl ester

acetaldehyde

Downstream raw materials:

N-ethoxycarbonyl NFLX

1-ethoxycarbonyloxyethyl bromide

1-(ethyloxycarbonyloxy)ethyl trans-4-aminomethylcyclohexanecarboxylate hydrochloride

1-(ethoxycarbonyloxy)ethyl (6R,7R)-7-[(Z)-2-(2-amino-4-thiazolyl)-2-(methoxyimino)acetamido]-3-(methoxymethyl)-3-cephem-4-carboxylate

Refernces

• 1、 Prybylski, John,Thiele, Nikki A.,Sloan, Kenneth B.. "Regioselective synthesis of 2-O-acyl-3-O-(1-acyloxyalkyl) prodrugs of 5,6-isopropylidene-L-ascorbic acid". . p. 1619 - 1621. Retrieved 2016.
• 2、 -. "PYRAZOLE DERIVATIVE". Paragraph 0100; 0114; 0116-0117. . Retrieved 2020/11/30.