3355-29-1

Basic information

• Product Name: Benzene, (3-chloro-3-methyl-1-butynyl)-
• CAS NO: 3355-29-1
• Molecular Formula: C11H11Cl
• Molecular Weight: 178.661
• Mol File: 3355-29-1.mol
• Article Data: 4

Chemical Properties

• CAS DataBase Reference: Benzene, (3-chloro-3-methyl-1-butynyl)-(CAS DataBase Reference)
• NIST Chemistry Reference: Benzene, (3-chloro-3-methyl-1-butynyl)-(3355-29-1)
• EPA Substance Registry System: Benzene, (3-chloro-3-methyl-1-butynyl)-(3355-29-1)

Safety Data

• Hazardous Substances Data: 3355-29-1(Hazardous Substances Data)

Upstream product

• 536-74-3 phenylacetylene 
• 102921-26-6 (1,2-dibromoethyl)benzene 
• 100-42-5 styrene 
• 1719-19-3 2-Methyl-4-phenyl-3-butyn-2-ol 

Downstream Products

• 42052-40-4 (3,3-dimethyl-5-phenylpenta-1,4-diyn-1-yl)benzene 
• 42052-42-6 cis-3,3-imethyl-1,5-diphenyl-1-penten-4-yn 
• 42052-41-5 (3,3-dimethyl-5-phenylcyclopenta-1,4-dien-1-yl)benzene 
• 5993-12-4 2-benzylidene-4-ethyl-3,3-dimethyl-morpholine 
• 5993-10-2 2-[(1,1-dimethyl-3-phenyl-prop-2-ynyl)-ethyl-amino]-ethanol 
• 84182-92-3 (1,1-Dimethyl-3-phenylpropyl)cyclooctan 
• 84183-14-2 1,5,5-Trimethyl-4-<(E)-α-(trifluoracetoxy)benzyliden>-1-cyclohexen 
• 78739-56-7 Phenyl(4,6,6-trimethyl-3-cyclohexen-1-yl)methanon 
• 4250-82-2 (3,3-dimethyl-but-1-ynyl)benzene 
• 84183-26-6 3-<(E)-α-Chlorbenzyliden>-1,2,3,4,5,6,7,8-octahydro-2,2-dimethylnaphthalin 
• 84183-13-1 4-<(E)-α-Chlorbenzyliden>-1,5,5-trimethyl-1-cyclohexen 
• 84183-12-0 7-Chlor-3,3,5-trimethyl-1-phenyl-5-hepten-1-in 
• 220322-94-1 (3,3-dimethylhex-5-en-1-yn-1-yl)benzene 
• 76173-76-7 (3,3,5-Trimethyl-hex-5-en-1-ynyl)-benzene 

Relevant articles and documents

Unraveling factors leading to efficient norbornadiene-quadricyclane molecular solar-thermal energy storage systems

Developing norbornadiene-quadricyclane (NBD-QC) systems for molecular solar-thermal (MOST) energy storage is often a process of trial and error. By studying a series of norbornadienes (NBD-R2) doubly substituted at the C7-position with R = H, M

Cycloaddition Reactions of Allenyl Cations with Cyclopentadiene

Propargyl halides R1-C=-C-CR2R3X (14) and cyclopentadiene react with zinc halide catalysis in ether/dichloromethane solution to give 3-halogenobicycloocta-2,6-dienes 13 (R1 = alkyl) or 5-(α-halogenobenzylidene)norbornenes 15 (R1 = aryl).The reactions are interpreted by stepwise - and -cycloadditions of intermediate allenyl cations 1, proceeding via propargylcyclopentenyl cations 5 and bicyclic vinyl cations 9 or 12.If the reactions are initiated by equimolar amounts of silver trifluoroacetate, quenching products of all postulated intermediates are isolated.The relative energies of the intermediate carbenium ions are estimated on the basis of force field calculations and of gas phase stabilities of simple carbocations.Stereochemical studies indicate that the addition reactions proceed via the compact transition state 42 rather than 41.The zinc chloride catalysed reaction of propargyl chloride 14e with cyclopentadiene yields the 2:1 product 17 (structurally assigned by X ray analysis) in addition to the 1:1 product 15e.The formation of 17 is rationalised by a -cycloaddition of allenyl cation 1 with cyclopentadiene.