MedKoo Cat#: 145864 | Name: Tetramethylallene

Description:

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

Tetramethylallene is an organic compound characterized by its allene structure, with four methyl groups attached to the carbon atoms. It is studied for its potential applications in organic synthesis, where it can act as a building block in the creation of more complex molecules, including pharmaceuticals and other fine chemicals. The mechanism of tetramethylallene involves its reactivity in chemical reactions, particularly in addition reactions, where it can form new carbon-carbon bonds to create a variety of functionalized compounds. Due to its unique structure, it serves as a valuable intermediate in synthetic chemistry, though it is not commonly used in large-scale industrial applications.

Chemical Structure

Tetramethylallene
CAS#1000-87-9

Theoretical Analysis

MedKoo Cat#: 145864

Name: Tetramethylallene

CAS#: 1000-87-9

Chemical Formula: C7H12

Exact Mass: 96.0900

Molecular Weight: 96.17

Elemental Analysis: C, 87.42; H, 12.58

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.
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Related CAS #
No Data
Synonym
Tetramethylallene; NSC-526665; NSC526665; NSC 526665;
IUPAC/Chemical Name
2,4-dimethylpenta-2,3-diene
InChi Key
DZSNJASVIURWOG-UHFFFAOYSA-N
InChi Code
1S/C7H12/c1-6(2)5-7(3)4/h1-4H3
SMILES Code
CC(C)=C=C(C)C
Appearance
To be determined
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
To be determined
Shelf Life
>2 years if stored properly
Drug Formulation
To be determined
Stock Solution Storage
0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code
2934.99.9001
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 96.17 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: Neville SP, Wang Y, Boguslavskiy AE, Stolow A, Schuurman MS. Substituent effects on dynamics at conical intersections: Allene and methyl allenes. J Chem Phys. 2016 Jan 7;144(1):014305. doi: 10.1063/1.4938561. PMID: 26747804. 2: Celebre G, De Luca G, Di Pietro ME. Experimental assessment of the vibration- reorientation contribution to liquid crystal NMR dipolar couplings: the case of tetramethylallene dissolved in a nematic mesophase. J Phys Chem B. 2011 Sep 29;115(38):11119-26. doi: 10.1021/jp2021598. Epub 2011 Aug 31. PMID: 21879737. 3: Carpenter BK. Prediction of Kinetic Product Ratios: Investigation of a Dynamically Controlled Case. J Phys Chem A. 2023 Jan 12;127(1):224-239. doi: 10.1021/acs.jpca.2c08301. Epub 2023 Jan 3. PMID: 36594780; PMCID: PMC9841574. 4: Chang HM, Cheng CH. Palladium-Catalyzed Synthesis of 1,3-Dienes from Allenes and Organic Halides. J Org Chem. 2000 Mar 24;65(6):1767-1773. doi: 10.1021/jo991651k. PMID: 10814149. 5: Fujita S. Systematic enumeration of nonrigid isomers with given ligand symmetries. J Chem Inf Comput Sci. 2000 Jan;40(1):135-46. doi: 10.1021/ci990072d. PMID: 10661560.