2,4,4-Trimethylpentan-1-ol

Base Information

• Chemical Name: 2,4,4-Trimethylpentan-1-ol
• CAS No.: 16325-63-6
• Molecular Formula: C8H18 O
• Molecular Weight: 130.23
• Hs Code.: 29051900
• European Community (EC) Number: 240-403-0
• NSC Number: 24283
• DSSTox Substance ID: DTXSID301311590
• Nikkaji Number: J236.211B
• Mol file: 16325-63-6.mol

Synonyms:2,4,4-Trimethylpentan-1-ol;2,4,4-Trimethyl-1-pentanol;16325-63-6;1-Pentanol, 2,4,4-trimethyl-;EINECS 240-403-0;NSC24283;1-Pentanol,4,4-trimethyl-;SCHEMBL195061;ZNRVRWHPZZOTIE-UHFFFAOYSA-;DTXSID301311590;MFCD00004741;NSC 24283;NSC-24283;2,4,4-Trimethyl-1-pentanol, 98%;AKOS009156948;SB84344;LS-08700;CS-0275754;FT-0694440;EN300-1251153;J-010025

Chemical Property of 2,4,4-Trimethylpentan-1-ol

Chemical Property:

• Vapor Pressure: 0.502mmHg at 25°C
• Melting Point: -61.15°C (estimate)
• Refractive Index: n20/D 1.427(lit.)
• Boiling Point: 169.3°Cat760mmHg
• PKA: 15.03±0.10(Predicted)
• Flash Point: 60°C
• PSA: 20.23000
• Density: 0.821g/cm³
• LogP: 2.05100
• 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: 71.1

Purity/Quality:

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

2,4,4-Trimethyl-1-pentanol 98% ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(CC(C)(C)C)CO

Technology Process of 2,4,4-Trimethylpentan-1-ol

There total 15 articles about 2,4,4-Trimethylpentan-1-ol 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: 81.0%

2,4,4-trimethylpentyl 2-azido-2-(naphthalen-2-yl)acetate (1221966-61-5) → 2-naphthalenecarbonitrile (613-46-7) + 2,4,4-trimethylpentan-1-ol (16325-63-6)

Guidance literature:

With oxygen; copper diacetate; potassium carbonate; In N,N-dimethyl-formamide; at 60 ℃; for 11h; under 760.051 Torr;

DOI:10.1021/ol100522z

Reference yield:

2,2,4-trimethylpentane (540-84-1) → 2,2,4-trimethyl-1-pentanol (123-44-4) + 2,2,4-trimethyl-3-pentanol (5162-48-1) + 2,4,4-trimethylpentan-1-ol (16325-63-6) + 2,4,4-trimethyl-2-pentanol (690-37-9)

Guidance literature:

With [2,2]bipyridinyl; dihydrogen peroxide; triphenylphosphine; iron(III) chloride; In acetonitrile; at 60 ℃; Further Variations:; Catalysts; Reagents; Product distribution;

DOI:10.1016/j.tetlet.2005.05.007

Reference yield:

2,4,4-trimethyl-1-pentene (107-39-1) → 2,4,4-trimethylpentan-1-ol (16325-63-6) + 2,4,4-trimethyl-2-pentanol (690-37-9)

Guidance literature:

With sodium hydroxide; sodium tetrahydroborate; boron trifluoride diethyl etherate; dihydrogen peroxide; Yield given. Multistep reaction; 1.) diglyme, 25-35 deg C, 1 h; 2.) diglyme, 25-35 deg C;

DOI:10.1016/S0040-4020(01)88152-7

upstream raw materials:

2-methyl-2-neopentyl-oxirane

2,4,4-trimethyl-1-pentene

diethyl ether

2,4,4-trimethyl-valeryl chloride

Downstream raw materials:

isooctyl glycidyl ether

5-Amino-2-hydroxy-benzoic acid 2,4,4-trimethyl-pentyl ester

2,4,4-trimethylpentanal

2-Hydroxy-5-nitro-benzoic acid 2,4,4-trimethyl-pentyl ester

Refernces

• 1、 -. "INJECTIBLE CYANOACRYLATE-FUNCTIONALIZED POLYISOBUTYLENES". Paragraph 0100. . Retrieved 2016/08/03.
• 2、 Shul'pin, Georgiy B.,Golfeto, Camilla C.,Süss-Fink, Georg,Shul'pina, Lidia S.,Mandelli, Dalmo. "Alkane oxygenation with H2O2 catalysed by FeCl 3 and 2,2′-bipyridine". . p. 4563 - 4567. Retrieved 2007/10/03.