2-Butanone, 4-hydroxy-3,3-dimethyl- (6CI,7CI,8CI,9CI)

Base Information

• Chemical Name: 2-Butanone, 4-hydroxy-3,3-dimethyl- (6CI,7CI,8CI,9CI)
• CAS No.: 1823-90-1
• Molecular Formula: C6H12 O2
• Molecular Weight: 116.16
• Mol file: 1823-90-1.mol

Synonyms:3,3-Dimethyl-4-hydroxy-2-butanone;4-Hydroxy-3,3-dimethyl-2-butanone

Chemical Property of 2-Butanone, 4-hydroxy-3,3-dimethyl- (6CI,7CI,8CI,9CI)

Chemical Property:

• Boiling Point: 85 °C(Press: 15 Torr)
• PKA: 14.12±0.10(Predicted)
• PSA: 37.30000
• Density: 0.950±0.06 g/cm3(Predicted)
• LogP: 0.59390
• Storage Temp.: Sealed in dry,Room Temperature

Purity/Quality:

97% ^*data from raw suppliers

4-hydroxy-3,3-dimethylbutan-2-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 2-Butanone, 4-hydroxy-3,3-dimethyl- (6CI,7CI,8CI,9CI)

There total 1 articles about 2-Butanone, 4-hydroxy-3,3-dimethyl- (6CI,7CI,8CI,9CI) 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: 62.0%

benzylamine (100-46-9) + 2-hydroxy-5,5-dimethyl-2-(trifluoromethyl)tetrahydro-4H-pyranone (212615-80-0) → 4-hydroxy-3,3-dimethyl-butan-2-one (1823-90-1) + N-benzyl-2,2,2-trifluoroacetamide (7387-69-1)

Guidance literature:

In methanol;

DOI:10.1007/BF02503492

Reference yield: 100.0%

4-hydroxy-3,3-dimethyl-butan-2-one (1823-90-1) + benzyl bromide (100-39-0) → 4-(benzyloxy)-3,3-dimethylbutan-2-one (61674-96-2)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; at 150 ℃; for 1h;

Reference yield: 92.0%

4-hydroxy-3,3-dimethyl-butan-2-one (1823-90-1) + benzaldehyde (100-52-7) + benzoyl chloride (98-88-4) → (+)-2,2-dimethyl-1,3-butanediol dibenzoate (1372861-84-1)

Guidance literature:

4-hydroxy-3,3-dimethyl-butan-2-one; benzaldehyde; With dilithium (R)-3,3'-diphenylbinaphtholate; In tetrahydrofuran; hexane; at -40 ℃; for 6h; Inert atmosphere;

With ammonium chloride; In tetrahydrofuran; hexane; water; at 20 ℃; for 0.166667h;

benzoyl chloride; With dmap; triethylamine; at 20 ℃; for 12h; optical yield given as %ee; enantioselective reaction;

DOI:10.3390/molecules16065008

upstream raw materials:

benzylamine

2-hydroxy-5,5-dimethyl-2-(trifluoromethyl)tetrahydro-4H-pyranone

Downstream raw materials:

(+/-)-2,6-Dimethyl-5-oxo-2-phenyl-heptansaeure-nitril

(2,2-Dimethyl-3-oxo-butoxysulfonyl)-phenyl-acetic acid

(+/-)-4,4-Dimethyl-5-oxo-2-phenyl-hexansaeure-nitril

(+/-)-6-Methyl-5-oxo-2-phenyl-heptansaeure-nitril