6939-71-5

Basic information

• Product Name: (3aR,7aS)-hexahydro-2-benzofuran-1(3H)-one
• CAS NO: 6939-71-5
• Molecular Formula: C₈H₁₂O₂
• Molecular Weight: 140.1797
• Mol File: 6939-71-5.mol
• Article Data: 5

Chemical Properties

• Boiling Point: 262.8°C at 760 mmHg
• Flash Point: 103.8°C
• Density: 1.093g/cm³
• Vapor Pressure: 0.0107mmHg at 25°C
• Refractive Index: 1.483
• CAS DataBase Reference: (3aR,7aS)-hexahydro-2-benzofuran-1(3H)-one(CAS DataBase Reference)
• NIST Chemistry Reference: (3aR,7aS)-hexahydro-2-benzofuran-1(3H)-one(6939-71-5)
• EPA Substance Registry System: (3aR,7aS)-hexahydro-2-benzofuran-1(3H)-one(6939-71-5)

Safety Data

• Hazardous Substances Data: 6939-71-5(Hazardous Substances Data)

Usage

General Description

(3aR,7aS)-hexahydro-2-benzofuran-1(3H)-one is a chemical compound with a bicyclic structure, consisting of a hexahydrobenzofuran ring system with a ketone functional group attached at the carbon-1 position. It is a white crystalline solid with a molecular formula of C9H14O2 and a molecular weight of 154.21 g/mol. (3aR,7aS)-hexahydro-2-benzofuran-1(3H)-one is used as a building block in the synthesis of various pharmaceuticals and organic compounds. Its unique structure and reactivity make it a valuable intermediate in the production of biologically active molecules and natural products. Additionally, (3aR,7aS)-hexahydro-2-benzofuran-1(3H)-one has potential applications in the development of new drugs and materials.

Upstream product

• 13149-00-3 1,2-cis-cyclohexanedicarboxylic anhydride 
• 33240-34-5 cyclopentylmagnesium bromide 
• 104907-92-8 2-(bromomethyl)cyclohexanecarboxylic acid 

Downstream Products

• 77734-61-3 (3R,3aS,7aR)-3-Phenylsulfanyl-hexahydro-isobenzofuran-1-one 
• 77734-61-3 (3S,3aS,7aR)-3-Phenylsulfanyl-hexahydro-isobenzofuran-1-one 
• 101496-35-9 (+/-)-cis-2-hydroxymethyl-cyclohexanecarboxylic acid-((Ξ)-benzylidenehydrazide) 
• 80772-14-1 trans-2-(6,6a,7,8,9,10,10a,11-octahydro-11-oxodibenzothiepin-3-yl)propionic acid 
• 80772-14-1 cis-2-(6,6a,7,8,9,10,10a,11-octahydro-11-oxodibenzothiepin-3-yl)propionic acid 
• 80772-38-9 2-((4aR,11aR)-5-Oxo-1,2,3,4,4a,5,11,11a-octahydro-10-thia-dibenzo[a,d]cyclohepten-8-yl)-propionic acid 2-oxo-2-phenyl-ethyl ester 
• 80772-71-0 phenethyl trans-2-(6,6a,7,8,9,10,10a,11-octahydro-11-oxodibenzothiepin-3-yl)propionate 
• 80772-35-6 2-((4aR,11aR)-5-Oxo-1,2,3,4,4a,5,11,11a-octahydro-10-thia-dibenzo[a,d]cyclohepten-8-yl)-propionic acid benzyl ester 
• 80772-46-9 2-((4aR,11aR)-5-Oxo-1,2,3,4,4a,5,11,11a-octahydro-10-thia-dibenzo[a,d]cyclohepten-8-yl)-propionic acid cyclohexyl ester 
• 140886-85-7 (6RS,11RS)-2-benzyl-11-hydroxymethyl-2-azaspiro<5.5>undecane 
• 140886-86-8 (5RS,10RS)-2-benzyl-10-hydroxymethyl-2-azaspiro<4.5>decane 
• 140886-80-2 (6RS,11RS)-2-benzyl-11-hydroxymethyl-2-azaspiro<5.5>undecanone 
• 140886-81-3 (5RS,10RS)-2-benzyl-10-hydroxymethyl-2-azaspiro<4.5>decanone 
• 18653-23-1 cis-2-methylbenzoylcyclohexane 

Relevant articles and documents

Simple Preparation of Rhodococcus erythropolis DSM 44534 as Biocatalyst to Oxidize Diols into the Optically Active Lactones

In the current study, we present a green toolbox to produce ecological compounds like lactone moiety. Rhodococcus erythropolis DSM 44534 cells have been used to oxidize both decane-1,4-diol (2a) and decane-1,5-diol (3a) into the corresponding γ- (2b) and δ-decalactones (3b) with yield of 80% and enantiomeric excess (ee)?=?75% and ee?=?90%, respectively. Among oxidation of meso diols, (?)-(1S,5R)-cis-3-oxabicyclo[4.3.0]non-7-en-2-one (5a) with 56% yield and ee?=?76% as well as (?)-(2R,3S)-cis-endo-3-oxabicyclo[2.2.1]dec-7-en-2-one (6a) with 100% yield and ee?=?90% were formed. It is worth mentioning that R. erythropolis DSM 44534 grew in a mineral medium containing ethanol as the sole source of energy and carbon Chirality 28:623–627, 2016.

Synthesis and neuroleptic activity evaluation of some trans-(2-aminometyl)cyclohexyl aryl ketones

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Syntheses stereoselectives des γ-lactones bicycliques condensees

A highly stereoselective synthesis of trans/trans and cis/trans bicyclic γ-lactones is described using bicyclic dicarboxylic anhydrides.