12125-72-3

Basic information

• Product Name: TRICARBONYL(CYCLOHEPTATRIENE)CHROMIUM
• Synonyms: Cycloheptatrienetricarbonylchromium;Cycloheptatrienetricarbonylchromium (0);cykloheptatrientrikarbonylchromium;pi-Cycloheptatrienetricarbonylchromium;tricarbonyl((1,2,4,5,6-eta)-1,3,5-cycloheptatriene)-chromiu;Tricarbonyl(eta-1,3,5-cycloheptatriene)chromium;tricarbonyl-pi-cycloheptatrinylchromium;tropilidenechromium tricarbonyl
• CAS NO: 12125-72-3
• Molecular Formula: C10H7CrO3 7*
• Molecular Weight: 227.16
• EINECS: 235-196-9
• Mol File: 12125-72-3.mol
• Article Data: 6

Chemical Properties

• Melting Point: 135-137 °C(lit.)
• Appearance: /solid
• CAS DataBase Reference: TRICARBONYL(CYCLOHEPTATRIENE)CHROMIUM(CAS DataBase Reference)
• NIST Chemistry Reference: TRICARBONYL(CYCLOHEPTATRIENE)CHROMIUM(12125-72-3)
• EPA Substance Registry System: TRICARBONYL(CYCLOHEPTATRIENE)CHROMIUM(12125-72-3)

Safety Data

• Hazard Codes: Xn
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36
• WGK Germany: 3
• RTECS: GB7355000
• Hazardous Substances Data: 12125-72-3(Hazardous Substances Data)

Usage

Description

TRICARBONYL(CYCLOHEPTATRIENE)CHROMIUM, also known as chromium tricarbonyl cycloheptatriene complex, is a metal carbonyl complex with the formula Cr(CO)3(η^7-C7H8). It is characterized by a central chromium atom surrounded by three carbon monoxide ligands and a cycloheptatriene ligand. This bright yellow solid at room temperature exhibits a tetrahedral geometry around the chromium atom. TRICARBONYL(CYCLOHEPTATRIENE)CHROMIUM is known for its aromaticity, stability, and unique structure, making it an important compound in coordination chemistry and a versatile agent in various organic transformations.

Uses

Used in Organic Synthesis:
TRICARBONYL(CYCLOHEPTATRIENE)CHROMIUM is employed as a catalyst in organic synthesis, facilitating numerous chemical reactions and transformations. Its unique reactivity and stability contribute to its effectiveness in this application.
Used in Organometallic Chemistry:
In organometallic chemistry, TRICARBONYL(CYCLOHEPTATRIENE)CHROMIUM serves as a reagent, playing a crucial role in the synthesis and study of organometallic compounds. Its properties allow for the exploration of new reactions and the development of novel organometallic species.
Used in Coordination Chemistry:
TRICARBONYL(CYCLOHEPTATRIENE)CHROMIUM is utilized in coordination chemistry due to its unique structure and reactivity. It aids in the understanding of metal-ligand interactions and the design of new coordination compounds with potential applications in various fields.
Used in Pharmaceutical Industry:
Although not explicitly mentioned in the provided materials, TRICARBONYL(CYCLOHEPTATRIENE)CHROMIUM could potentially be used in the pharmaceutical industry as a catalyst or reagent for the synthesis of complex organic molecules, including drug candidates.
Used in Research and Development:
TRICARBONYL(CYCLOHEPTATRIENE)CHROMIUM is also used in research and development settings to study its properties and explore its potential applications in various chemical processes and industries. Its aromaticity and stability make it an interesting subject for scientific investigation.

InChI:InChI=1S/C7H8.3CO.Cr/c1-2-4-6-7-5-3-1;3*1-2;/h1-6H,7H2;;;;

Upstream product

• 114595-36-7 Cr(CO)3{P(C₆H₁₁)3}2 
• 544-25-2 Cyclohepta-1,3,5-triene 
• 12301-34-7 tetracarbonyl(η2:2-cyclooctadiene)chromium(0) 
• 12146-36-0 tetracarbonylnorbornadienchrom 
• 73871-81-5 (CO)3Cr(CH₃OC₂H₄)2O 
• 697302-50-4 (benzene)tricarbonylchromium 
• 199620-14-9 chromium⁽⁰⁾ hexacarbonyl 
• 27792-49-0 tricarbonyltrispyridinechromium⁽⁰⁾ 
• 12110-37-1 tricarbonyl(naphthalene)chromium⁽⁰⁾ 
• 16940-66-2 sodium tetrahydroborate 
• 142083-93-0 Cr(CO)3C₇H₇(P(C₆H₅)2CH₂CH₂P(C₆H₅)2)⁽¹⁺⁾*BF₄^(1-)=Cr(CO)3C₇H₇(P(C₆H₅)2CH₂CH₂P(C₆H₅)2)(BF₄) 
• 142083-83-8 Cr(CO)3C₇H₇(P(C₆H₅)2CH₂P(C₆H₅)2)⁽¹⁺⁾*BF₄^(1-)=Cr(CO)3C₇H₇(P(C₆H₅)2CH₂P(C₆H₅)2)(BF₄) 
• 19973-63-8 (CO)3Cr(C₄H₈O)3 
• 184224-48-4 (pyrene)Cr(CO)3 

Downstream Products

• 114925-26-7 fac-tris(phenyldibenzophosphole)tricarbonylchromium⁽⁰⁾*methanol 
• 114860-44-5 cis-bis(phenyldibenzophosphole)tetracarbonylchromium⁽⁰⁾ 
• 544-25-2 Cyclohepta-1,3,5-triene 
• 71231-35-1 pentacarbonyl(o-tolunitrile)chromium⁽⁰⁾ 
• 199620-14-9 chromium⁽⁰⁾ hexacarbonyl 
• 697302-50-4 (benzene)tricarbonylchromium 
• 16027-47-7 trans-(CO)4Cr{P{N(CH3)2}3}2 
• 16800-46-7 tris(acetonitrile)tricarbonylchromium⁽⁰⁾ 
• 24554-61-8 fac-(CO)3Cr{As(CH₃)2C₆H₅}3 
• 30958-89-5 (CO)3Cr(NCC₆H₃(CH₃)2-2.5)3 
• 30173-80-9 fac-(CO)3Cr{P(C₆H₅)2(CCC₆H₅)}3 
• 79542-59-9 Cr(CO)3{Sb(C₆H₅)3}3 
• 184353-19-3 C₈H₆(C₆H₅)((CH₂)3CHCH₂)(CH₂)Cr(CO)3 

Relevant articles and documents

Heterobimetallic indenyl complexes. Kinetics and mechanism of substitution and exchange reactions of trans-[Cr(CO)3-indenyl-Rh(CO)2] with olefins

The trans coordination of the benzene ring of the indenyl-Rh(CO)2 complex with tricarbonylchromium strongly enhances the rate of substitution of CO's with bidentate olefins, 1,5-cyclooctadiene (COD) and norbornadiene (NBD) ( extra-indenyl effect ). The activation parameters suggest an associative reaction pathway assumed to proceed via the intermediacy of a nonisolable low-hapticity species, η1-indenyl-Rh(CO)2(L2). In addition, the rate of exchange of the Cr(CO)3 group of the complexes trans-[Cr(CO)3-indenyl-Rh(CO)2], 3, and trans-[Cr(CO)3-indenyl-Rh(COD)], 3a, and suitable acceptors (hexamethylbenzene and cycloheptatriene) is markedly increased with respect to that measured for the same reaction in the monometallic complex η-naphthalene-Cr(CO)3 ( extra-naphthalene effect ). These mutual effects of the Cr(CO)3 and RhL2 units are transmitted through the 10 π electron indenyl framework, and the results obtained are in agreement with the existence of an haptomeric ground-state equilibrium between the two isomers trans-[Cr(CO)3μ,η6:η 3-indenyl-RhL2], I, and trans-[Cr(CO)3-μ,η4:η 5-indenyl-RhL2], II.

7?-acetoxy-(1H?, 6H?)-bicyclo[4.4.1]undeca-2,4,8-triene via chromium-mediated higher order cycloaddition: [ bicyclo[4.4.1]undeca-3,7,9-triene-2-ol, acetate, endo- (±)- ]

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Substitution and addition reactions of the (CO)3(η7-tropylium)M cations (M = Cr, Mo, W) with tertiary diphosphines

The reactions of the title compounds I-III, [(η7-C7H7)M(CO)3]BF4 (M = Cr, Mo, and W, respectively), with the diphosphines PPh2(CH2)nPPh2 (n = 1-4) at low temperatures (-40 to -60°C) form two new series of complexes which are quite different from previous carbonyl substitution products. The first series (IV-VI) formed by the diphosphines (n = 1-3) comprise 7-exo ring adducts involving the bonding of only one phosphorus atom of the diphosphine to ring carbon atom 7 of I. The second series (VII and VIII) are diphosphine ring linked dimers, e.g. [(7,7′-exo-dppb){η6-C7H7)Cr(CO) 3}2] [BF4]2, for which X-ray crystallography confirms a diphosphine linked ring-ring structure with the Cr(CO)3 moieties situated on opposite sides of the ring systems. The ring C-phosphorus bond length of 1.852 A? indicates a relatively weak bond, consistent with facile cleavage of these adducts on reaction with nucleophiles such as hydride.