Pivalolactone

Base Information Edit

Chemical Name:Pivalolactone
CAS No.:1955-45-9
Deprecated CAS:45432-82-4
Molecular Formula:C5H8 O2
Molecular Weight:100.117
Hs Code.:2932209090
UNII:6813U5R1GP
DSSTox Substance ID:DTXSID0021171
Nikkaji Number:J42.694F
Wikidata:Q27264192
Mol file:1955-45-9.mol

Synonyms:PIVALOLACTONE;3,3-dimethyloxetan-2-one;1955-45-9;Pivalic acid lactone;3,3-Dimethyl-2-oxetanone;2-Oxetanone, 3,3-dimethyl-;Dimethyl propiolactone;Pivalolactone.;HSDB 4117;NCI-C04126;3,3-Dimethyl-2-oxethanone;CCRIS 524;alpha,alpha-Dimethyl-beta-propiolactone;3,3-Dimethyl-beta-propiolactone;BRN 1280648;UNII-6813U5R1GP;.alpha.,.alpha.-Dimethyl-.beta.-propiolactone;6813U5R1GP;.alpha.,.alpha.-Dimethylpropiolactone;Propanoic acid, 3-hydroxy-2,2-dimethyl-, beta-lactone;Pivalolactone (in chloroform ~1.6per cent w/v);5-17-09-00032 (Beilstein Handbook Reference);PIVALOLACTONE [HSDB];3,3-dimethyl-oxetan-2-one;SCHEMBL127168;DTXSID0021171;3,3-Dimethyl-.beta.-propiolactone;LS-972;AKOS006275929;alpha, alpha-dimethyl-beta-propiolactone;Pivalolactone (in chloroform ~1.6% w/v);FT-0673952;EN300-7577072;Hydracrylic acid, 2,2-dimethyl-, .beta.-lactone;J-012668;Q27264192;Z1198157981;Propanoic acid, 3-hydroxy-2,2-dimethyl-, .beta.-lactone

Suppliers and Price of Pivalolactone

Supply Marketing:Edit

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

American Custom Chemicals Corporation
PIVALOLACTONE 95.00%
31.25ML
$ 1958.00

American Custom Chemicals Corporation
PIVALOLACTONE 95.00%
1G
$ 1871.10

American Custom Chemicals Corporation
PIVALOLACTONE 95.00%
3.125ML
$ 836.00

American Custom Chemicals Corporation
PIVALOLACTONE 95.00%
100MG
$ 739.20

Total 8 raw suppliers

Chemical Property of Pivalolactone Edit

Chemical Property:

Vapor Pressure:9.21mmHg at 25°C
Melting Point:-12.9°C
Refractive Index:1.427
Boiling Point:51°C@20mmHg.
Flash Point:33.7°C
PSA：26.30000
Density:1.032g/cm³
LogP:0.56940
XLogP3:0.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:0
Exact Mass:100.052429494
Heavy Atom Count:7
Complexity:105

Purity/Quality:

98%Min ^*data from raw suppliers

PIVALOLACTONE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Chemical Classes:Other Classes -> Lactones
Canonical SMILES:CC1(COC1=O)C
Uses Carcinogenic agent. Shows mutagenicity

Technology Process of Pivalolactone

There total 21 articles about Pivalolactone 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%

: 6921-35-3
3,3-dimethyloxetane

: 1955-45-9,24969-13-9
pivalolactone

Guidance literature:: With 2,6-dichloropyridine N-oxide; dichloro(5,10,15,20-tetrakis(pentafluorophenyl)porphyrinato)ruthenium(IV); In 1,2-dichloro-ethane; at 40 ℃; for 20h; Reagent/catalyst; Inert atmosphere;
DOI:10.1142/S1088424615500297

Reference yield: 83.0%

: 558-30-5
2-methyl-1,2-epoxypropane

: 201230-82-2
carbon monoxide

: 1823-52-5
4,4-dimethyloxetan-2-one

: 1955-45-9,24969-13-9
pivalolactone

Guidance literature:: [(salph)Al(THF)2]⁽¹⁺⁾*[Co(CO)4]^(1-); at 50 ℃; for 1h; under 45510.2 Torr;
DOI:10.1021/ja017434u

Reference yield: 50.0%

: 75-98-9
Trimethylacetic acid

: 1955-45-9,24969-13-9
pivalolactone

Guidance literature:: With tert.-butylhydroperoxide; dichloro bis(acetonitrile) palladium(II); cesium bicarbonate; N-acetyl-3-amino-2-methylpropanoic acid; In decane; at 60 ℃; for 12h;
DOI:10.1038/s41586-019-1859-y