30414-57-4

Basic information

• Product Name: 3-Oxo-6-heptenoic acid methyl ester
• Synonyms: 3-Oxo-6-heptenoic acid methyl ester
• CAS NO: 30414-57-4
• Molecular Formula: C₈H₁₂O₃
• Molecular Weight: 156.18
• Mol File: 30414-57-4.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 99-100 °C(Press: 15 Torr)
• Appearance: /
• Density: 0.999±0.06 g/cm3(Predicted)
• PKA: 10.59±0.46(Predicted)
• CAS DataBase Reference: 3-Oxo-6-heptenoic acid methyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: 3-Oxo-6-heptenoic acid methyl ester(30414-57-4)
• EPA Substance Registry System: 3-Oxo-6-heptenoic acid methyl ester(30414-57-4)

Safety Data

• Hazardous Substances Data: 30414-57-4(Hazardous Substances Data)

Upstream product

• 109-49-9 5-Hexen-2-one 
• 616-38-6 carbonic acid dimethyl ester 

Downstream Products

• 646038-16-6 (S)-3-oxo-2-(3-oxocyclohexyl)hept-6-enoic acid methyl ester 
• 113452-84-9 7-(2-Iodophenyl)-5-methylidenehept-1-ene 
• 180036-94-6 1-(2-Iodophenyl)hept-6-en-3-one 
• 79636-78-5 3-Oxo-2-phenylselanyl-hept-6-enoic acid methyl ester 
• 124005-05-6 2-(pyrrolidin-1-yl)benzoic acid methyl ester 
• 119-36-8 methyl salicylate 
• 1415570-52-3 methyl 8-(((benzyloxy)carbonyl)amino)-2-(but-3-en-1-yl)imidazo[1,2-a]pyridine-3-carboxylate 
• 1160855-42-4 2-benzyl-4-(1-hydroxypent-4-enylidene)-4H-isoquionoline-1,3-dione 
• 1169874-46-7 C₂₇H₂₇NO₂ 
• 1169874-48-9 C₂₇H₂₇NO₃ 
• 1169874-50-3 C₂₆H₂₅NO₂ 
• 132903-58-3 3a,4,5,6-Tetrahydro-3H-cyclopentapyrazole-6a-carboxylic acid methyl ester 
• 87201-77-2 3-(2-Dimethylaminomethyl-3-methoxy-phenylamino)-hept-6-en-1-ol 
• 79636-87-6 2-Oxo-5-phenylselanyl-cyclohexanecarboxylic acid methyl ester 

Relevant articles and documents

Thermostable Enzymes in Organic Synthesis, Part 6. Total synthesis of (S)-(-)-Zearalenone using a TBADH-Generated Trifunctional Chiron

Chiral alcohols produced by Thermoanaerobium brockii alcohol dehydrogenase (TBADH)-catalysed asymmetric reduction of polyfunctional ketones are useful building blocks for natural products synthesis.In particular, the ability of TBADH to discriminate between two ketones having equal chemical reactivity is demonstrated by enzymatic reduction of dec-9-ene-2,6-dione to produce optically pure (S)-2-hydroxydec-9-en-6-one.The total synthesis of (S)-(-)-zearalenone with optical purity that exceeds 99.5percent has been achieved by using the latter compound as a starting material.