1-Iodoethyl cyclohexyl carbonate

Base Information

• Chemical Name: 1-Iodoethyl cyclohexyl carbonate
• CAS No.: 102672-57-1
• Molecular Formula: C₉H₁₅IO₃
• Molecular Weight: 298.121
• DSSTox Substance ID: DTXSID60455557
• Nikkaji Number: J243.097E
• Mol file: 102672-57-1.mol

Synonyms:1-IODOETHYL CYCLOHEXYL CARBONATE;102672-57-1;Cyclohexyl 1-iodoethyl Carbonate;Carbonic acid, cyclohexyl 1-iodoethyl ester;SCHEMBL305826;DTXSID60455557;WRBLBPRJIBIRBP-UHFFFAOYSA-N;Cyclohexyl (1-iodoethyl) carbonate;AKOS015911945;1-(cyclohexyloxycarbonyloxy)-ethyliodide;1-(cyclohexyloxycarbonyloxy)ethyl iodide;Carbonic acid cyclohexyl 1-iodoethyl ester;1-{[(cyclohexyloxy)carbonyl]oxy}-1-iodo-ethane;carbonic acid cyclohexyl ester 1-iodo-ethyl ester

Chemical Property of 1-Iodoethyl cyclohexyl carbonate

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.525
• Boiling Point: 319.208 °C at 760 mmHg
• Flash Point: 146.852 °C
• PSA: 35.53000
• Density: 1.571 g/cm³
• LogP: 3.25330
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 298.00659
• Heavy Atom Count: 13
• Complexity: 166

Purity/Quality:

99% ^*data from raw suppliers

1-IODOETHYL CYCLOHEXYL CARBONATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(OC(=O)OC1CCCCC1)I

Technology Process of 1-Iodoethyl cyclohexyl carbonate

There total 5 articles about 1-Iodoethyl cyclohexyl 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: 69.0%

1-chloroethyl cyclohexyl carbonate (99464-83-2) → cyclohexyl (1-iodoethyl)carbonate (95789-69-8,102672-57-1)

Guidance literature:

With sodium iodide; In acetonitrile; at 50 ℃; for 5.5h;

Reference yield:

→ cyclohexyl (1-iodoethyl)carbonate (95789-69-8,102672-57-1) + 1-chloroethyl cyclohexyl carbonate (99464-83-2)

Guidance literature:

Reference yield:

cyclohexyl chloroformate (13248-54-9) → cyclohexyl (1-iodoethyl)carbonate (95789-69-8,102672-57-1)

Guidance literature:

Multi-step reaction with 2 steps

1: ZnCl₂

2: NaI, 18-crown-6 / benzene / Heating

With 18-crown-6 ether; sodium iodide; zinc(II) chloride; In benzene;

DOI:10.1016/S0960-894X(99)00316-9

upstream raw materials:

1-chloroethyl cyclohexyl carbonate

cyclohexyl chloroformate

cyclohexanol

Downstream raw materials:

(4R,5S,6S)-6-((R)-1-Hydroxy-ethyl)-4-methyl-3-{(2R,3R)-2-[(4-nitro-benzyloxycarbonylamino)-methyl]-tetrahydro-furan-3-ylsulfanyl}-7-oxo-1-aza-bicyclo[3.2.0]hept-2-ene-2-carboxylic acid 1-cyclohexyloxycarbonyloxy-ethyl ester

cyclohexyl 1-[(R)-2-[[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]sulfinyl]-1H-benzimidazol-1-yl]ethyl carbonate

cyclohexyl 1-[(R)-2-[[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]sulfinyl]-1H-benzimidazol-1-yl]ethyl carbonate

candesartan cilexetil

Refernces

• 1、 -. "N-SUBSTITUTED-CYCLIC AMINO DERIVATIVE". Page/Page column 164. . Retrieved 2012/05/20.
• 2、 -. "2-ARYLMETHYLAZETIDINE-CARBAPENEM-3-CARBOXYLIC ACID ESTER DERIVATIVE OR ITS SALT, PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME". Page/Page column 18. . Retrieved 2009/06/27.