MedKoo Cat#: 591852 | Name: Pivalophenone
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Description:

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

Pivalophenone is a biochemical.

Chemical Structure

Pivalophenone
Pivalophenone
CAS#938-16-9

Theoretical Analysis

MedKoo Cat#: 591852

Name: Pivalophenone

CAS#: 938-16-9

Chemical Formula: C11H14O

Exact Mass: 162.1045

Molecular Weight: 162.23

Elemental Analysis: C, 81.44; H, 8.70; O, 9.86

Price and Availability

Size Price Availability Quantity
1g USD 260.00
5g USD 480.00
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Related CAS #
No Data
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

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
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.