2,4,4-Trimethyl-2-pentanol

Base Information

• Chemical Name: 2,4,4-Trimethyl-2-pentanol
• CAS No.: 690-37-9
• Molecular Formula: C8H18 O
• Molecular Weight: 130.23
• Hs Code.: 2905199090
• European Community (EC) Number: 678-512-4
• NSC Number: 904
• UNII: PDL7YB58P5
• DSSTox Substance ID: DTXSID10219040
• Nikkaji Number: J96.518I
• Wikidata: Q83095932
• Mol file: 690-37-9.mol

Synonyms:2,4,4-trimethyl-2-pentanol

Chemical Property of 2,4,4-Trimethyl-2-pentanol

Chemical Property:

• Vapor Pressure: 1.97mmHg at 25°C
• Melting Point: -20°C
• Refractive Index: 1.4260 to 1.4300
• Boiling Point: 145°C at 760 mmHg
• PKA: 15.31±0.29(Predicted)
• Flash Point: 46.2°C
• PSA: 20.23000
• Density: 0.82
• LogP: 2.19350
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 130.135765193
• Heavy Atom Count: 9
• Complexity: 87.2

Purity/Quality:

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

2,4,4-Trimethyl-2-pentanol ^*data from reagent suppliers

Safty Information:

• Statements: 10
• Safety Statements: 16

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Solvents -> Alcohols (
• Canonical SMILES: CC(C)(C)CC(C)(C)O
• Uses: 2,4,4-Trimethyl-2-pentanol is an intermediate formed from incubation of Sphingomonas sp. strain with xeno-estrogenic octylphenol. It was used in study comparing the relative binding affinities of low-molecular-weight proteins from humans versus male rats.

Technology Process of 2,4,4-Trimethyl-2-pentanol

There total 28 articles about 2,4,4-Trimethyl-2-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: 68.0%

2,2,4-trimethylpentane (540-84-1) → 2,4,4-trimethyl-2-pentanol (690-37-9)

Guidance literature:

With chromium(VI) oxide; tetrabutylammonium periodite; In dichloromethane; acetonitrile; at -40 ℃; for 0.166667h;

DOI:10.1021/ja026734o

Reference yield:

methanol (67-56-1) + 2,2'-Azobis(2,4,4-trimethylpentane) (55204-43-8) → 2,4,4-trimethyl-1-pentene (107-39-1) + 2,2,4-trimethylpentane (540-84-1) + 2,4,4-trimethylpent-2-ene (107-40-4) + 2,4,4-trimethyl-2-pentanol (690-37-9) + methyl 1,1,3,3-tetramethylbutyl ether (62108-41-2)

Guidance literature:

With 2,6-di-tert-butyl-pyridine; tris(4-bromophenyl)aminium hexafluoroantimonate; In dichloromethane; Product distribution; Mechanism; hexachloroantimonate instead of hexafluoroantimonat; or thianthrenium perchlorate; variation of conditions;

DOI:10.1021/jo00049a025

Reference yield:

2,4,4-trimethyl-1-pentene (107-39-1) → 2,4,4-trimethyl-2-pentanol (690-37-9)

Guidance literature:

With hydrogen iodide; at 0 ℃; man setzt das erhaltene Jodid bei 0grad mit Ag₂O um;

upstream raw materials:

2,4,4-trimethyl-1-pentene

4,4-dimethyl-pentan-2-one

methylmagnesium chloride

methylmagnesium bromide

Downstream raw materials:

3-piperidino-propionic acid-(1,1,3,3-tetramethyl-butylamide)

N,N-dimethyl-glycine-(1,1,3,3-tetramethyl-butylamide)

2-diethylamino-heptanoic acid-(1,1,3,3-tetramethyl-butylamide)

2,4,4-trimethyl-1-pentene

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