Cyclohexyloxycarbonyloxymethyl iodide

Base Information

• Chemical Name: Cyclohexyloxycarbonyloxymethyl iodide
• CAS No.: 95789-55-2
• Molecular Formula: C8H13IO3
• Molecular Weight: 284.094
• DSSTox Substance ID: DTXSID60454782
• Wikidata: Q82276513
• Mol file: 95789-55-2.mol

Synonyms:cyclohexyloxycarbonyloxymethyl iodide;95789-55-2;SCHEMBL303883;Iodomethyl Cyclohexyl Carbonate;DTXSID60454782;FIRXVZVYPFHDJY-UHFFFAOYSA-N

Chemical Property of Cyclohexyloxycarbonyloxymethyl iodide

Chemical Property:

• PSA: 35.53000
• LogP: 2.86480
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 283.99094
• Heavy Atom Count: 12
• Complexity: 143

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(CC1)OC(=O)OCI

Technology Process of Cyclohexyloxycarbonyloxymethyl iodide

There total 2 articles about Cyclohexyloxycarbonyloxymethyl iodide 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: 91.5%

chloromethyl cyclohexyl carbonate (40510-86-9) → cyclohexyloxycarbonyloxymethyl iodide (95789-55-2)

Guidance literature:

With sodium iodide; In acetone; for 18h; Reflux;

DOI:10.1021/jm500879a

Reference yield:

→ cyclohexyloxycarbonyloxymethyl iodide (95789-55-2)

Guidance literature:

Reference yield: 4.1%

cyclohexyloxycarbonyloxymethyl iodide (95789-55-2) + [4R-[3(3S,5S)-4α,5β,6β(R)]]-3-[[5-[[(3-carboxyphenyl)amino]carbonyl]-3-pyrrolidinyl]thio]-6-(1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo[3.2.0.]hept-2-ene-2-carboxylic acid monosodium → ertapenem C-3-methyl cycloxexyl carbonate sodium salt

Guidance literature:

In N,N-dimethyl-formamide; at 0 ℃; for 0.5h;

DOI:10.1021/jm500879a

upstream raw materials:

chloromethyl cyclohexyl carbonate

Downstream raw materials:

bis(cyclohexyloxycarbonyloxymethyl) fumarate

Cyclohexyloxycarbonyloxymethyl(1S,5R,6S)-2-(7-acetyl-5-methylimidazo[5,1-b]thiazol-2-yl)-6-((1R)-1-hydroxyethyl)-1-methyl-1-carbapen-2-em-3-carboxylate

Cyclohexyloxycarbonyloxymethyl(1S,5R,6S)-6-((R)-1-hydroxyethyl)-2-(7-methanesulfonyl-5-methylimidazo[5,1-b]thiazol-2-yl)-1-methyl-1-carbapen-2-em-3-carboxylate

Cyclohexyloxycarbonyloxymethyl(1S,5R,6S)-2-[7-(N,N-dimethylaminosulfonyl)imidazo[5,1-b]thiazol-2-yl]-6-((1R)-1-hydroxyethyl)-1-methyl-1-carbapen-2-em-3-carboxylate