2,3-Dimethyl-3-pentanol

Base Information

• Chemical Name: 2,3-Dimethyl-3-pentanol
• CAS No.: 595-41-5
• Molecular Formula: C7H16 O
• Molecular Weight: 116.203
• European Community (EC) Number: 209-866-6
• DSSTox Substance ID: DTXSID70870656
• Nikkaji Number: J95.489F
• Mol file: 595-41-5.mol

Synonyms:2,3-DIMETHYL-3-PENTANOL;595-41-5;2,3-Dimethylpentan-3-ol;3-Pentanol, 2,3-dimethyl-;EINECS 209-866-6;2,3-dimethyl-pentan-3-ol;SCHEMBL22300;(S)-2,3-dimethylpentan-3-ol;DTXSID70870656;2,3-Dimethyl-3-pentanol, 99%;AKOS009158516;FT-0609696

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

Chemical Property:

• Vapor Pressure: 2.83mmHg at 25°C
• Melting Point: -30.45°C (estimate)
• Refractive Index: n20/D 1.428(lit.)
• Boiling Point: 138.3°Cat760mmHg
• Flash Point: 40.6°C
• PSA: 20.23000
• Density: 0.818g/cm³
• LogP: 1.80340
• Water Solubility.: 16.14g/L(25 oC)
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 116.120115130
• Heavy Atom Count: 8
• Complexity: 68.8

Purity/Quality:

98%,99%, ^*data from raw suppliers

2,3-Dimethyl-3-pentanol 99% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 10-36/37/38
• Safety Statements: 16-26-36/37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCC(C)(C(C)C)O
• Uses: 2,3-Dimethyl-3-pentanol was used in a study to determine the uptake rates for different compounds of various polarities by polydimethylsiloxane-based permeation passive air sampler.

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

There total 14 articles about 2,3-Dimethyl-3-pentanol 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: 75.0%

3-methyl-butan-2-one (563-80-4) + triethyl borane (97-94-9) → 2,3-dimethyl-3-pentanol (595-41-5)

Guidance literature:

With tetra-(n-butyl)ammonium iodide; In tetrahydrofuran; N,N-dimethyl-formamide; for 7h; Ambient temperature; electrolysis with Pt/Cu electrodes;

DOI:10.1016/S0040-4039(98)00915-0

Reference yield: 36.0%

3-methyl-butan-2-one (563-80-4) + ethylmagnesium bromide (925-90-6) → 2,3-dimethyl-3-pentanol (595-41-5)

Guidance literature:

In tetrahydrofuran; at 0 - 20 ℃; Schlenk technique; Inert atmosphere;

DOI:10.1021/acs.orglett.8b03299

Reference yield:

(R)-2,3,3-Trimethylbutylamin (74669-71-9) → (S)-2,3-Dimethyl-2-pentanol (28357-68-8) + 2,3,3-trimethyl-2-butanol (594-83-2) + 2,3-dimethyl-3-pentanol (595-41-5) + 2,3,3-trimethylbutan-1-ol (36794-64-6) + 4.4-Dimethyl-2-pentanol (6144-93-0) + (R)-2,3-Dimethyl-2-pentanol (4911-70-0,28357-68-8,111768-01-5)

Guidance literature:

With sodium nitrite; In perchloric acid; water; for 36h; Product distribution; Mechanism;

upstream raw materials:

trimethyloxirane

diethyl ether

ethylmagnesium bromide

3-methyl-butan-2-one

Downstream raw materials:

2,3-dimethylpent-2-ene

2,3-dimethyl-pent-2-ene

4-(1-ethyl-1,2-dimethyl-propyl)-phenol

3-Chlor-2,3-dimethylpentan

Refernces

• 1、 Guo, Qihang,Ren, Xiang,Lu, Zhan. "Controllable Intramolecular Unactivated C(sp3)-H Amination and Oxygenation of Carbamates". supporting information. p. 880 - 884. Retrieved 2019/05/16.
• 2、 Kirmse, Wolfgang,Guenther, Bernd-Rainer,Knist, Johannes,Kratz, Sigrid,Loosen, Karin,et al.. "Stereochemistry of Aliphatic Carbocations, 14. Alkyl Shifts from Secondary to Primary Carbon Atoms". . p. 2127 - 2139. Retrieved 2007/10/02.