2-(Hydroxymethyl)cyclohexanone

Base Information

• Chemical Name: 2-(Hydroxymethyl)cyclohexanone
• CAS No.: 5331-08-8
• Molecular Formula: C7H12 O2
• Molecular Weight: 128.171
• Hs Code.: 2914400090
• European Community (EC) Number: 826-492-4
• NSC Number: 2242
• UNII: FZA64V6C8J
• Nikkaji Number: J130.635I
• Mol file: 5331-08-8.mol

Synonyms:2-(HYDROXYMETHYL)CYCLOHEXANONE;5331-08-8;2-(hydroxymethyl)cyclohexan-1-one;Cyclohexanone, 2-(hydroxymethyl)-;NSC-2242;NSC2242;(hydroxymethyl)cyclohexanone;2-hydroxymethylcyclohexanone;FZA64V6C8J;SCHEMBL1117680;1-Hydroxymethyl-2-cyclohexanone;NSC 2242;2-(hydroxymethyl)-cyclohexan-1-one;MFCD09414735;AKOS015907373;SB84352;CS-0138289;FT-0735709;EN300-152540;F18113

Chemical Property of 2-(Hydroxymethyl)cyclohexanone

Chemical Property:

• Vapor Pressure: 0.00688mmHg at 25°C
• Melting Point: 149 °C
• Boiling Point: 239.8°C at 760 mmHg
• PKA: 14.39±0.10(Predicted)
• Flash Point: 98°C
• PSA: 37.30000
• Density: 1.054g/cm³
• LogP: 0.73800
• Storage Temp.: 2-8°C
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 128.083729621
• Heavy Atom Count: 9
• Complexity: 110

Purity/Quality:

99.3% ^*data from raw suppliers

2-(Hydroxymethyl)cyclohexan-1-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CCC(=O)C(C1)CO

Technology Process of 2-(Hydroxymethyl)cyclohexanone

There total 11 articles about 2-(Hydroxymethyl)cyclohexanone 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: 97.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + 1-(Trimethylsilyloxy)cyclohexene (6651-36-1) → 2-(hydroxymethyl)cyclohexanone (5331-08-8)

Guidance literature:

With indium(III) chloride; In water; at 23 ℃; for 15h;

DOI:10.1039/cc9960001819

Reference yield: 90.0%

2-(hydroxymethyl)cyclohexanol (27583-43-3) → 2-(hydroxymethyl)cyclohexanone (5331-08-8)

Guidance literature:

With sodium hypochlorite; In acetic acid; for 1h; Ambient temperature;

DOI:10.1016/S0040-4039(00)85677-4

Reference yield: 78.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + 1-(dimethylsilyloxy)cyclohexene (64340-79-0) → 2-(hydroxymethyl)cyclohexanone (5331-08-8)

Guidance literature:

With calcium chloride; In N,N-dimethyl-formamide; at 0 ℃; for 24h;

DOI:10.1021/ja017218l

upstream raw materials:

formaldehyd

cyclohexanone

1,4-dioxaspiro[4.5]dec-6-yl-methanol

2-(hydroxymethyl)cyclohexanol

Downstream raw materials:

2-(methylthiomethyl)cyclohexan-1-one

trans-2-hydroxymethylcyclohexanol

Bromo-acetic acid 2-oxo-cyclohexylmethyl ester

2-formyl-2-chlorocyclohexanone

Refernces

• 1、 Joris,L.,Schleyer,P. von R.. "-". . p. 4599 - 4611. Retrieved 1968.
• 2、 Khosravi, Kaveh,Naserifar, Shirin. "1,1,2,2-Tetrahydroperoxy-1,2-Diphenylethane: An efficient and high oxygen content oxidant in various oxidative reactions". supporting information. p. 6584 - 6592. Retrieved 2018/10/05.