2,2,4,4-Tetramethylpentan-3-ol

Base Information

• Chemical Name: 2,2,4,4-Tetramethylpentan-3-ol
• CAS No.: 14609-79-1
• Molecular Formula: C9H20 O
• Molecular Weight: 144.257
• DSSTox Substance ID: DTXSID10163271
• Nikkaji Number: J804.963G
• Wikidata: Q83032155
• Mol file: 14609-79-1.mol

Synonyms:2,2,4,4-Tetramethylpentan-3-ol;14609-79-1;3-Pentanol, 2,2,4,4-tetramethyl-;2,2,4,4-Tetramethyl-3-pentanol;DI-T-BUTYLCARBINOL;Di-t-butylmethanol;Di-tert-butylcarbinol;di-t-butylmethyl alcohol;SCHEMBL2164167;DTXSID10163271;2,2,4,4-Tetramethyl-3-pentanol #;AKOS011680815;F8884-0916;InChI=1/C9H20O/c1-8(2,3)7(10)9(4,5)6/h7,10H,1-6H

Chemical Property of 2,2,4,4-Tetramethylpentan-3-ol

Chemical Property:

• Vapor Pressure: 0.625mmHg at 25°C
• Melting Point: 50°C
• Refractive Index: 1.4009 (estimate)
• Boiling Point: 165.5°Cat760mmHg
• PKA: 15.31±0.20(Predicted)
• Flash Point: 53.2°C
• PSA: 20.23000
• Density: 0.823g/cm³
• LogP: 2.43950
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 144.151415257
• Heavy Atom Count: 10
• Complexity: 88.9

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)(C)C(C(C)(C)C)O

Technology Process of 2,2,4,4-Tetramethylpentan-3-ol

There total 5 articles about 2,2,4,4-Tetramethylpentan-3-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:

Di-t-butyl ketone (815-24-7) → 2,4,4-trimethylpent-2-ene (107-40-4) + 2,2,4,4-tetramethylpentane (1070-87-7) + 2,2,4,4-tetramethyl-3-pentanol (14609-79-1) + isobutene (115-11-7,15220-85-6)

Guidance literature:

With titanium tetrachloride; lithium; In tetrahydrofuran-d8; at 20 ℃; for 24h; Further byproducts.;

DOI:10.1002/1521-3765(20010716)7:14<3043::AID-CHEM3043>3.0.CO;2-D

Reference yield:

Di-t-butyl ketone (815-24-7) → 2,2,4,4-tetramethylpentane (1070-87-7) + 2,2,4,4-tetramethyl-3-pentanol (14609-79-1) + 1-(tert-Butyl)-2,2-dimethylcyclopropan (63509-97-7) + isobutene (115-11-7,15220-85-6)

Guidance literature:

With titanium tetrachloride; lithium; In tetrahydrofuran-d8; at 20 ℃; for 24h; Further byproducts.;

DOI:10.1002/1521-3765(20010716)7:14<3043::AID-CHEM3043>3.0.CO;2-D

Reference yield:

Di-t-butyl ketone (815-24-7) → 2,2,4,4-tetramethylpentane (1070-87-7) + 2,2,4,4-tetramethyl-3-pentanol (14609-79-1) + di-t-butyl-1,1 ethylene (5857-68-1) + isobutene (115-11-7,15220-85-6)

Guidance literature:

With titanium tetrachloride; lithium; In tetrahydrofuran; at 20 ℃; for 24h; Further Variations:; Solvents; Product distribution;

DOI:10.1016/S0022-328X(00)00651-3

upstream raw materials:

Di-t-butyl ketone

di-tert-butylmagnesium

tert.-butyl lithium

Downstream raw materials:

di-tert-butylcarbinyl tosylate

2,4,4-trimethyl-1-pentene

non-1-ene

penta-1,2-diene