1-Bromopinacolone

Base Information Edit

Chemical Name:1-Bromopinacolone
CAS No.:5469-26-1
Molecular Formula:C6H11 Br O
Molecular Weight:179.057
Hs Code.:2914.19
European Community (EC) Number:226-794-0
NSC Number:25307
UNII:FU9GTL96KB
DSSTox Substance ID:DTXSID50203145
Nikkaji Number:J138.325F
Wikidata:Q72511488
Mol file:5469-26-1.mol

Synonyms:1-bromo-2-pinacolone;1-bromopinacolone

Suppliers and Price of 1-Bromopinacolone

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

TRC
1-Bromopinacolone
5g
$ 110.00

TCI Chemical
1-Bromo-3,3-dimethyl-2-butanone >95.0%(GC)
25g
$ 437.00

TCI Chemical
1-Bromo-3,3-dimethyl-2-butanone >95.0%(GC)
5g
$ 146.00

SynQuest Laboratories
1-Bromo-3,3-dimethylbutan-2-one
100 g
$ 525.00

SynQuest Laboratories
1-Bromo-3,3-dimethylbutan-2-one
10 g
$ 68.00

SynQuest Laboratories
1-Bromo-3,3-dimethylbutan-2-one
50 g
$ 285.00

Sigma-Aldrich
1-Bromopinacolone technical grade, ~90%
25g
$ 284.00

Sigma-Aldrich
1-Bromopinacolone ≥97%
5ml
$ 65.60

Sigma-Aldrich
1-Bromopinacolone ≥97%
25ml
$ 144.00

Biosynth Carbosynth
1-Bromopinacolone
5 g
$ 100.00

Total 76 raw suppliers

Chemical Property of 1-Bromopinacolone Edit

Chemical Property:

Appearance/Colour:clear to ywllowish liquid
Vapor Pressure:0.568mmHg at 25°C
Melting Point:-10 C
Refractive Index:n20/D 1.466(lit.)
Boiling Point:188 - 192 C
Flash Point:75 ºC
PSA：17.07000
Density:1.331
LogP:1.99650
Storage Temp.:−20°C
Solubility.:Chloroform, Methanol
Water Solubility.:Insoluble in water.
XLogP3:2.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:177.99933
Heavy Atom Count:8
Complexity:91.2

Purity/Quality:

98% ^*data from raw suppliers

1-Bromopinacolone ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:Xi,F
Statements: 36/37/38
Safety Statements: 26-37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Canonical SMILES:CC(C)(C)C(=O)CBr
Uses 1-Bromopinacolone is used as an iIntermediate for triazole compounds ( a five-membered ring structure compound contains three nitrogens and two carbons in the ring) which have biological activities such as antiviral, antibacterial, antifungal and antituberculous.

Technology Process of 1-Bromopinacolone

There total 21 articles about 1-Bromopinacolone 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: 95.0%

: 75-97-8
3,3-dimethyl-butan-2-one

: 5469-26-1
1-Bromopinacolon

Guidance literature:: With cerium(III) nitrate hexahydrate; sulfuric acid; dihydrogen peroxide; lithium bromide; In water; acetonitrile; at 65 - 70 ℃; Reagent/catalyst; Concentration; Time; Solvent; Catalytic behavior;
DOI:10.1007/s11172-013-0166-2

Reference yield: 95.0%

: 1271-66-5
dimethyltitanocene

: 24331-71-3
N,N-dimethylpivalamide

: 5469-26-1
1-Bromopinacolon

Guidance literature:: dimethyltitanocene; N,N-dimethylpivalamide; In toluene; at 65 ℃; Schlenk technique; Inert atmosphere;

With bromine; In toluene; at -78 ℃; for 0.0333333h; Schlenk technique; Inert atmosphere;

With water; In toluene; at 20 ℃; for 1h; regioselective reaction; Schlenk technique; Inert atmosphere;
DOI:10.1080/00397911.2013.765484

Reference yield: 91.0%

: 464-07-3,20281-91-8
3,3-dimethyl-2-butanol

: 5469-26-1
1-Bromopinacolon

Guidance literature:: With hydrogen bromide; dihydrogen peroxide; In water; acetonitrile; at 65 - 70 ℃; for 6h; Green chemistry;
DOI:10.1039/c8ra04885a