Pivalophenone
featured

    WARNING: This product is for research use only, not for human or veterinary use.

Hodoodo CAT#: H591852

CAS#: 938-16-9

Description: Pivalophenone is a biochemical.


Chemical Structure

img
Pivalophenone
CAS# 938-16-9

Theoretical Analysis

Hodoodo Cat#: H591852
Name: Pivalophenone
CAS#: 938-16-9
Chemical Formula: C11H14O
Exact Mass: 162.10
Molecular Weight: 162.230
Elemental Analysis: C, 81.44; H, 8.70; O, 9.86

Price and Availability

Size Price Availability Quantity
1g USD 260
5g USD 480
Bulk inquiry

Synonym: Pivalophenone; AI3-11505; AI3 11505; AI311505

IUPAC/Chemical Name: 1-Propanone, 2,2-dimethyl-1-phenyl-

InChi Key: OECPUBRNDKXFDX-UHFFFAOYSA-N

InChi Code: InChI=1S/C11H14O/c1-11(2,3)10(12)9-7-5-4-6-8-9/h4-8H,1-3H3

SMILES Code: CC(C)(C)C(C1=CC=CC=C1)=O

Appearance: Solid powder

Purity: >98% (or refer to the Certificate of Analysis)

Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Solubility: Soluble in DMSO

Shelf Life: >3 years if stored properly

Drug Formulation: This drug may be formulated in DMSO

Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).

HS Tariff Code: 2934.99.03.00

More Info:

Biological target:
In vitro activity:
In vivo activity:

Preparing Stock Solutions

The following data is based on the product molecular weight 162.23 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL
Formulation protocol:
In vitro protocol:
In vivo protocol:

Molarity Calculator

Calculate the mass, volume, or concentration required for a solution.
=
x
x
g/mol

*When preparing stock solutions always use the batch-specific molecular weight of the product found on the vial label and SDS / CoA (available online).

Reconstitution Calculator

The reconstitution calculator allows you to quickly calculate the volume of a reagent to reconstitute your vial. Simply enter the mass of reagent and the target concentration and the calculator will determine the rest.

=
÷

Dilution Calculator

Calculate the dilution required to prepare a stock solution.
x
=
x

1: Xu W, Yoshikai N. Cobalt-catalyzed directed C-H alkenylation of pivalophenone N-H imine with alkenyl phosphates. Beilstein J Org Chem. 2018 Mar 28;14:709-715. doi: 10.3762/bjoc.14.60. eCollection 2018. PubMed PMID: 29719569; PubMed Central PMCID: PMC5905286.

2: Xu W, Yoshikai N. Pivalophenone imine as a benzonitrile surrogate for directed C-H bond functionalization. Chem Sci. 2017 Aug 1;8(8):5299-5304. doi: 10.1039/c7sc01732d. Epub 2017 May 30. PubMed PMID: 28970910; PubMed Central PMCID: PMC5607892.

3: Ueno S, Chatani N, Kakiuchi F. Regioselective alkenylation of aromatic ketones with alkenylboronates using a RuH2(CO)(PPh3)3 catalyst via carbon-hydrogen bond cleavage. J Org Chem. 2007 Apr 27;72(9):3600-2. Epub 2007 Apr 4. PubMed PMID: 17407360.

4: Ueno S, Mizushima E, Chatani N, Kakiuchi F. Direct observation of the oxidative addition of the aryl carbon-oxygen bond to a ruthenium complex and consideration of the relative reactivity between aryl carbon-oxygen and aryl carbon-hydrogen bonds. J Am Chem Soc. 2006 Dec 27;128(51):16516-7. PubMed PMID: 17177397.

5: Kakiuchi F, Matsuura Y, Kan S, Chatani N. A RuH(2)(CO)(PPh(3))(3)-catalyzed regioselective arylation of aromatic ketones with arylboronates via carbon-hydrogen bond cleavage. J Am Chem Soc. 2005 Apr 27;127(16):5936-45. PubMed PMID: 15839693.

6: Chan B, Radom L. Base-catalyzed hydrogenation: rationalizing the effects of catalyst and substrate structures and solvation. J Am Chem Soc. 2005 Mar 2;127(8):2443-54. PubMed PMID: 15724999.