PIVALOIN

Base Information

• Chemical Name: PIVALOIN
• CAS No.: 815-66-7
• Molecular Formula: C10H20 O2
• Molecular Weight: 172.268
• Hs Code.: 2914400090
• Mol file: 815-66-7.mol

Synonyms:4-Hydroxy-2,2,5,5-tetramethyl-3-hexanone;Di-tert-Butylacyloin; NSC 1054; NSC 407548; Pivaloin

Chemical Property of PIVALOIN

Chemical Property:

• Vapor Pressure: 0.0882mmHg at 25°C
• Melting Point: 81°C
• Refractive Index: 1.4320 (estimate)
• Boiling Point: 198.9°C at 760 mmHg
• PKA: 13.41±0.20(Predicted)
• Flash Point: 77.7°C
• PSA: 37.30000
• Density: 0.912g/cm³
• LogP: 2.00860

Purity/Quality:

98%min ^*data from raw suppliers

4-Hydroxy-2,2,5,5-tetramethylhexan-3-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of PIVALOIN

There total 5 articles about PIVALOIN 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: 93.0%

4-tert-butyl-4-hydroxy-2,2,5,5-tetramethylhexan-3-one (36146-59-5) + 2,2-dimethylpropiophenone (938-16-9) → pivaloin (815-66-7) + 4-hydroxy-2,2,5,5-tetramethyl-4-phenylhexan-3-one (1391728-10-1)

Guidance literature:

With methylmagnesium chloride; In tetrahydrofuran; Cyclohexane-d12; at 60 ℃; for 2h; sealed tube;

DOI:10.1002/chem.201102867

Reference yield:

2,2-dimethyl-propanoic acid ethyl ester (3938-95-2) + ammonia (7664-41-7) → 2,2-dimethyl-propanol-1 (75-84-3) + pivaloin (815-66-7) + pivalaldehyde (630-19-3)

Guidance literature:

DOI:10.1021/jo01210a005

Reference yield:

pivalil (4388-88-9) → pivaloin (815-66-7) + Trimethylacetic acid (75-98-9)

Guidance literature:

With diethyl ether; sodium; Zersetzen des Reaktionsprodukts mit Wasser;

upstream raw materials:

pivalil

2,2-dimethyl-propanoic acid ethyl ester

ammonia

tBuC(=O)-C(OLi)tBu₂

Downstream raw materials:

pivalil

Trimethylacetic acid

2,2,5-trimethyl-hept-4-en-3-one-(2,4-dinitro-phenylhydrazone)

4-diazo-2,2,5,5-tetramethyl-hexan-3-one

Refernces