2,3-Dimethyl-3-hexanol

Base Information

• Chemical Name: 2,3-Dimethyl-3-hexanol
• CAS No.: 4166-46-5
• Molecular Formula: C8H18O
• Molecular Weight: 130.23
• Hs Code.: 2905199090
• European Community (EC) Number: 224-019-0
• DSSTox Substance ID: DTXSID20961886
• Nikkaji Number: J133.589H
• Mol file: 4166-46-5.mol

Synonyms:2,3-Dimethyl-3-hexanol;2,3-Dimethylhexan-3-ol;4166-46-5;3-Hexanol, 2,3-dimethyl-;EINECS 224-019-0;SCHEMBL3114618;DTXSID20961886;MFCD00046594;AKOS009158399;FT-0609695

Chemical Property of 2,3-Dimethyl-3-hexanol

Chemical Property:

• Vapor Pressure: 0.961mmHg at 25°C
• Melting Point: -61.15°C (estimate)
• Refractive Index: 1.4340
• Boiling Point: 157.9°Cat760mmHg
• Flash Point: 56.6°C
• PSA: 20.23000
• Density: 0.821g/cm³
• LogP: 2.19350
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 130.135765193
• Heavy Atom Count: 9
• Complexity: 78.6

Purity/Quality:

99% ^*data from raw suppliers

2,3-Dimethyl-3-hexanol, 95% ^*data from reagent suppliers

Safty Information:

• Statements: R10:Flammable.
• Safety Statements: S23:Do not inhale gas/fumes/vapour/spray.; S24/25:Avoid contact with skin and eyes.

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC(C)(C(C)C)O

Technology Process of 2,3-Dimethyl-3-hexanol

There total 8 articles about 2,3-Dimethyl-3-hexanol 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: 57.0%

2,4-Dinitrofluorobenzene (70-34-8,65727-75-5) → picryl fluoride (364-44-3)

Guidance literature:

With fuming sulphuric acid; potassium nitrate; at 0 - 125 ℃; for 120h;

DOI:10.1021/acs.cgd.0c01049

Reference yield: 23.0%

pyridinium picrate (1152-90-5) → picryl fluoride (364-44-3)

Guidance literature:

With diethylamino-sulfur trifluoride;

DOI:10.1002/(SICI)1099-1395(199608)9:8<515::AID-POC816>3.0.CO;2-5

Reference yield:

2,4,6-trinitrochlorobenzene (88-88-0) → picryl fluoride (364-44-3)

Guidance literature:

With potassium fluoride; at 185 ℃; for 5h;

upstream raw materials:

3-methyl-butan-2-one

n-propylmagnesium bromide

isopropylmagnesium bromide

2-Pentanone

Downstream raw materials:

(+/-)-4-Hydroxy-1-(1-methyl-1-isopropyl-butyl)-benzol

3-Chlor-2,3-dimethyl-hexan

2,3-dimethyl-2-hexene

(E)-2,3 dimethyl 3-hexene

Refernces

• 1、 Lorand, John P.. "Formation constants in C-H hydrogen bonding. 4. Effects of cyano, nitro, and trifluoromethyl substituents in aromatic compounds". . p. 186 - 205. Retrieved 2015/02/19.
• 2、 Manderville, Richard A.,Dust, Julian M.,Buncel, Erwin. "Reaction pathways for ambident aryloxide O- and C-nucleophiles in SNAr displacement versus Meisenheimer complex formation with picryl halides. Stereoelectronic effects on regioselectivity". . p. 515 - 528. Retrieved 2007/10/03.