Chloromethyl isopropyl carbonate

Base Information

• Chemical Name: Chloromethyl isopropyl carbonate
• CAS No.: 35180-01-9
• Molecular Formula: C5H9ClO3
• Molecular Weight: 152.578
• Hs Code.: 29189900
• European Community (EC) Number: 439-370-7,609-084-9
• UNII: 6S8MF45ZHW
• DSSTox Substance ID: DTXSID90564020
• Nikkaji Number: J1.561.699G
• Wikidata: Q72454140
• Mol file: 35180-01-9.mol

Synonyms:Chloromethyl isopropyl carbonate;35180-01-9;isopropyl chloromethyl carbonate;chloromethyl propan-2-yl carbonate;Chloromethylisopropylcarbonate;Carbonic acid, chloromethyl 1-methylethyl ester;Chloromethyl isopropyl carbonate;isopropoxycarbonyloxymethyl chloride;6S8MF45ZHW;Carbonic Acid Chloromethyl Isopropyl Ester;1-chloromethyl isopropyl carbonate;UNII-6S8MF45ZHW;SCHEMBL319242;DTXSID90564020;Chloromethyl 1-Methylethyl Carbonate;LT0048;MFCD07375443;AKOS006287743;CS-W016293;AS-12304;AM20090681;C2626;Carbonic acid chloromethyl ester isopropyl ester;D77787;EN300-317494;A822628;J-019979;J-520034

Chemical Property of Chloromethyl isopropyl carbonate

Chemical Property:

• Appearance/Colour: Colorless and transparent liquid
• Vapor Pressure: 4.419mmHg at 25°C
• Refractive Index: 1.42
• 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.: Refrigerator, Under Inert Atmosphere
• 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: 92.2

Purity/Quality:

99% ^*data from raw suppliers

Chloromethyl isopropyl carbonate ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)OC(=O)OCCl

Technology Process of Chloromethyl isopropyl carbonate

There total 4 articles about Chloromethyl isopropyl 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: 98.0%

carbonochloridic acid, chloromethyl ester (22128-62-7) + isopropyl alcohol (67-63-0,8013-70-5) → chloromethyl isopropyl carbonate (35180-01-9)

Guidance literature:

With triethylamine; at 0 ℃;

DOI:10.1016/j.tet.2011.05.017

Reference yield: 95.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + isopropyl chloroformate (108-23-6) → chloromethyl isopropyl carbonate (35180-01-9)

Guidance literature:

With 1-ethyl-3-methylimidazolium tetrafluoroborate; In toluene; at 10 ℃; Reagent/catalyst; Solvent; Temperature;

Reference yield: 85.0%

→ chloromethyl isopropyl carbonate (35180-01-9)

Guidance literature:

With pyridine; In water; at 20 ℃; for 2h; Cooling;

upstream raw materials:

carbonochloridic acid, chloromethyl ester

isopropyl alcohol

chloromethyl formate

formaldehyd

Downstream raw materials:

isopropyl piperidine-1-carboxylate

isopropyl N-benzylcarbamate

(5-(4-chlorophenyl)-3-(2,6-difluoro-3-(propylsulfonamido)benzoyl)-1H-pyrrolo[2,3-b]pyridin-1-yl)methyl isopropyl carbonate

Refernces

• 1、 -. "Benzodiazepine compound as well as preparation method and medical action thereof (by machine translation)". Paragraph 0204-0206; 0310; 0311; 0313. . Retrieved 2021/01/11.
• 2、 -. "INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF THEIR USE". Page/Page column 65; 66. . Retrieved 2019/07/20.