3,4,4-TRIMETHYL-1-PENTYN-3-OL

Base Information

• Chemical Name: 3,4,4-TRIMETHYL-1-PENTYN-3-OL
• CAS No.: 993-53-3
• Molecular Formula: C₈H₁₄O
• Molecular Weight: 126.199
• Mol file: 993-53-3.mol

Synonyms:3,4,4-Trimethylpent-1-yn-3-ol;Methyl-tert-butylethynylcarbinol; NSC 47968; tert-Butylethynylmethylcarbinol

Chemical Property of 3,4,4-TRIMETHYL-1-PENTYN-3-OL

Chemical Property:

• Vapor Pressure: 3.01mmHg at 25°C
• Refractive Index: 1.4420
• Boiling Point: 137.2°Cat760mmHg
• PKA: 13.34±0.29(Predicted)
• Flash Point: 35.6°C
• PSA: 20.23000
• Density: 0.889g/cm³
• LogP: 1.41670

Purity/Quality:

99% ^*data from raw suppliers

3,4,4-TRIMETHYL-1-PENTYN-3-OL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R10:Flammable.
• Hazard Codes: R10:Flammable.
• 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:

Technology Process of 3,4,4-TRIMETHYL-1-PENTYN-3-OL

There total 13 articles about 3,4,4-TRIMETHYL-1-PENTYN-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: 90.0%

3,3-dimethyl-butan-2-one (75-97-8) + acetylene (74-86-2,25067-58-7) → 3,4,4-trimethylpent-1-yn-3-ol (38484-41-2,38484-42-3,104758-84-1,993-53-3)

Guidance literature:

With potassium tert-butylate; In tetrahydrofuran; at 10 - 15 ℃; for 0.333333h;

Reference yield: 85.0%

3,3-dimethyl-butan-2-one (75-97-8) + calcium carbide (75-20-7) → 3,4,4-trimethylpent-1-yn-3-ol (38484-41-2,38484-42-3,104758-84-1,993-53-3)

Guidance literature:

With tetrabutyl ammonium fluoride; water; In dimethyl sulfoxide; at 20 ℃; for 2h; Inert atmosphere;

DOI:10.1021/acs.orglett.5b01219

Reference yield: 62.0%

3,3-dimethyl-butan-2-one (75-97-8) + acetylenemagnesium bromide (4301-14-8) → 3,4,4-trimethylpent-1-yn-3-ol (38484-41-2,38484-42-3,104758-84-1,993-53-3)

Guidance literature:

In tetrahydrofuran; Heating;

upstream raw materials:

3,3-dimethyl-butan-2-one

sodium acetylide

acetylene

1-bromo-3,4,4-trimethyl-penta-1,2-diene

Downstream raw materials:

acetoacetic acid-(1-tert-butyl-1-methyl-prop-2-ynyl ester)

3,4,4-trimethyl-1-pentyn-3-ol hydrogen phthalate

(S)-3,4,4-trimethyl-1-pentyn-3-ol

(R)-3,4,4-Trimethyl-1-pentyn-3-ol