34655

Di-tert-butylcyclopentadiene

mixture of isomers, ≥95.0% (GC)

• Empirical Formula (Hill Notation): C₁₃H₂₂
• CAS Number: 120937-44-2
• Molecular Weight: 178.31
• Beilstein/REAXYS Number: 3537135
• MDL number: MFCD00674508
• UNSPSC Code: 12352100
• PubChem Substance ID: 57649256
• NACRES: NA.22

Properties

• assay: ≥95.0% (GC)
• form: liquid
• refractive index: n20/D 1.467
• density: 0.836 g/mL at 20 °C (lit.)
• application(s): diagnostic assay manufacturing; hematology; histology
• Storage temp.: 2-8°C
• SMILES string: CC(C)(C)C1C=CC(=C1)C(C)(C)C
• InChI: 1S/C13H22/c1-12(2,3)10-7-8-11(9-10)13(4,5)6/h7-10H,1-6H3
• Inchi Key: RADVPPBTEASJRZ-UHFFFAOYSA-N

Description

General description

Preparation of di-tert-butylcyclopentadiene by phase-transfer-catalyzed alkylation has been reported.[1] It reacts with excess potassium tert-butoxide in the presence of elemental selenium to yield cyclopentadienes bridged by two or three selenium atoms through one or two diselenoketal functionalities.[2] It reacts with excess potassium tert-butoxide in the presence of elemental sulfur to yield cyclopentadienes bridged by sulfur atoms via one or two dithioketal functionalities.[3]

Application

Di-tert-butylcyclopentadiene may be used in the preparation of 2,5,4′,6′-tetra-tert-butyl-5′H-spirocyclopentane-1,2′-cyclopenta[b][1,3]diselena-2,4-diene and 1,3,5,7-tetra-tert-butyl-3a,7a-dihydro-3a,7a-epi-selenodicyclopenta[b,e][1,4]diselenine.[2]

Safety Information

• Pictograms: GHS02,GHS07
• signalword: Danger
• hcodes: H225,H315,H319,H335
• pcodes: P210 - P233 - P240 - P241 - P303 + P361 + P353 - P305 + P351 + P338
• Hazard Classifications: Eye Irrit. 2 - Flam. Liq. 2 - Skin Irrit. 2 - STOT SE 3
• target_organs: Respiratory system
• Storage Class: 3 - Flammable liquids
• wgk_germany: WGK 3
• flash_point_f: 48.2 °F - closed cup
• flash_point_c: 9 °C - closed cup
• ppe: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter