methyl (1R,2R)-1-(2-bromoprop-2-enyl)-2-(furan-2-yl)-5-oxocyclohexane-1-carboxylate

Base Information

• Chemical Name: methyl (1R,2R)-1-(2-bromoprop-2-enyl)-2-(furan-2-yl)-5-oxocyclohexane-1-carboxylate
• CAS No.: 83662-23-1
• Molecular Formula: C₁₅H₁₇BrO₄
• Molecular Weight: 341.202
• NSC Number: 375113
• DSSTox Substance ID: DTXSID10474935
• Wikidata: Q82305114

Synonyms:NSC375113;83662-23-1;DTXSID10474935;NSC-375113

Chemical Property of methyl (1R,2R)-1-(2-bromoprop-2-enyl)-2-(furan-2-yl)-5-oxocyclohexane-1-carboxylate

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 410.87°C at 760 mmHg
• Flash Point: 202.287°C
• Density: 1.375g/cm³
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 340.03102
• Heavy Atom Count: 20
• Complexity: 420

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1(CC(=O)CCC1C2=CC=CO2)CC(=C)Br
• Isomeric SMILES: COC(=O)[C@]1(CC(=O)CC[C@H]1C2=CC=CO2)CC(=C)Br

Technology Process of methyl (1R,2R)-1-(2-bromoprop-2-enyl)-2-(furan-2-yl)-5-oxocyclohexane-1-carboxylate

There total 2 articles about methyl (1R,2R)-1-(2-bromoprop-2-enyl)-2-(furan-2-yl)-5-oxocyclohexane-1-carboxylate 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:

3-Methoxybenzoic acid (586-38-9) → (1R,2R)-1-(2-Bromo-allyl)-2-furan-2-yl-5-oxo-cyclohexanecarboxylic acid methyl ester (83662-23-1,83867-62-3)

Guidance literature:

Multi-step reaction with 2 steps

2: 1.)in ether, 2.)in HMPA

DOI:10.1016/S0040-4039(00)87594-2

Reference yield:

methyl 5-methoxy-1,5-cyclohexadiene-1-carboxylate (67768-65-4) + furan-2-ylmagnesium iodide (531514-49-5) + 2-bromoallyl bromide (513-31-5) → (1R,2R)-1-(2-Bromo-allyl)-2-furan-2-yl-5-oxo-cyclohexanecarboxylic acid methyl ester (83662-23-1,83867-62-3)

Guidance literature:

Yield given. Multistep reaction; 1.)in ether, 2.)in HMPA;

DOI:10.1016/S0040-4039(00)87594-2

Reference yield: 65.0%

lithium di-n-butylcuprate (24406-16-4) + (1R,2R)-1-(2-Bromo-allyl)-2-furan-2-yl-5-oxo-cyclohexanecarboxylic acid methyl ester (83662-23-1,83867-62-3) → (1S,2R)-2-Furan-2-yl-1-(2-methylene-hexyl)-5-oxo-cyclohexanecarboxylic acid methyl ester (83867-64-5) + (1S,2R,5S)-2-Furan-2-yl-5-hydroxy-6-methylene-bicyclo[3.2.1]octane-1-carboxylic acid methyl ester (83867-63-4)

Guidance literature:

In tetrahydrofuran; hexane; at -50 ℃; for 1h;

DOI:10.1016/S0040-4039(00)87595-4

upstream raw materials:

methyl 5-methoxy-1,5-cyclohexadiene-1-carboxylate

furan-2-ylmagnesium iodide

2-bromoallyl bromide

3-Methoxybenzoic acid

Downstream raw materials:

(1S,2R)-1-Allyl-2-furan-2-yl-5-oxo-cyclohexanecarboxylic acid methyl ester

(1S,2R)-2-Furan-2-yl-1-(2-methylene-hexyl)-5-oxo-cyclohexanecarboxylic acid methyl ester

(1S,2R,5S)-2-Furan-2-yl-5-hydroxy-6-methylene-bicyclo[3.2.1]octane-1-carboxylic acid methyl ester

(1R,2R,5S)-1-(2-Bromo-allyl)-2-furan-2-yl-6-oxa-bicyclo[3.2.1]octan-7-one

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