(4R)-4-Methylcycloheptan-1-one

Base Information

• Chemical Name: (4R)-4-Methylcycloheptan-1-one
• CAS No.: 13609-59-1
• Molecular Formula: C8H14O
• Molecular Weight: 126.199
• Hs Code.: 2914299000
• DSSTox Substance ID: DTXSID80508251
• Nikkaji Number: J108.784C
• Wikidata: Q82365011
• Mol file: 13609-59-1.mol

Synonyms:(4R)-4-Methylcycloheptan-1-one;13609-59-1;(R)-4alpha-Methylcycloheptane-1-one;Cycloheptanone, 4-methyl-, (R)-;Cycloheptanone, 4-methyl-, (-)-;4-Methylcycloheptanone #;DTXSID80508251;WXVNSHRGPVHBPD-SSDOTTSWSA-N

Chemical Property of (4R)-4-Methylcycloheptan-1-one

Chemical Property:

• Boiling Point: 184.9±8.0 °C(Predicted)
• PSA: 17.07000
• Density: 0.897±0.06 g/cm3(Predicted)
• LogP: 2.15570
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 126.104465066
• Heavy Atom Count: 9
• Complexity: 107

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CCCC(=O)CC1
• Isomeric SMILES: C[C@@H]1CCCC(=O)CC1

Technology Process of (4R)-4-Methylcycloheptan-1-one

There total 14 articles about (4R)-4-Methylcycloheptan-1-one 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: 100.0%

tetrabutylammonium trifluoromethylsulfonate (35895-70-6) + (R)-4-methylcyclohexylidenemethyl(phenyl)iodonium tetrafluoroborate → iodobenzene (591-50-4) + (S)-4-methylcycloheptanone (13609-59-1) + (S)-4-methylcycloheptanone

Guidance literature:

tetrabutylammonium trifluoromethylsulfonate; (R)-4-methylcyclohexylidenemethyl(phenyl)iodonium tetrafluoroborate; In chloroform; at 60 ℃;

With sulfuric acid; In methanol; water; at 60 ℃; for 9h;

DOI:10.1021/jo0203995

Reference yield: 32.0%

(R)-4-methylcyclohexylidenemethyl triflate → 4-methylcyclohexanecarbaldehyde (33242-79-4) + (S)-4-methylcycloheptanone (13609-59-1) + (+)-(S)-(4-Methylcyclohexylidene)bromomethane (60164-94-5)

Guidance literature:

With tetrabutylammomium bromide; In methanol; water; at 140 ℃; for 336h; Further Variations:; Reagents; time; Product distribution; Solvolysis;

DOI:10.1246/cl.2001.806

Reference yield:

(R)-4-methylcyclohexylidenemethyl(phenyl)iodonium tetrafluoroborate → iodobenzene (591-50-4) + (S)-4-methylcycloheptanone (13609-59-1)

Guidance literature:

With water; In methanol; at 60 ℃; for 8h;

DOI:10.1021/jo020398c

upstream raw materials:

diazomethane

(3R)-3-methylcyclohexanone

methanol

tetrabutylammonium trifluoromethylsulfonate