CAS: 30414-54-1; Methyl 3-Oxohexanoate

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3-羟基己酸甲酯置于candida Parapsilosis Carbonyl Reductase 2 W286S,Nicotinamide Adenine Dinucleotide体系中,用 Aq. Buffer 用作溶剂,化学反应生成3-氧代己酸甲酯
参考文献:Cpadh5对映体优先和3-羟基链烷酸甲酯的链长特异性改变
标题:Cpadh5对映体优先和3-羟基链烷酸甲酯的链长特异性改变
摘要:扩大酶的底物范围为合成有价值的化学物质开辟了新途径.酮官能化的脂肪酸衍生物和相应的手性醇是合成包括药品在内的多种化学物质的重要组成部分.副念珠菌的乙醇脱氢酶(cpadh5)催化手性醇的可逆氧化,具有广泛的底物范围;Cpadh5的挑战是在氧化的醇部分旁边转化具有小的取代基(甲基或乙基)的醇.分子对接研究表明,W286位于小的结合口袋中,并限制了与脂肪族链长于乙基取代基的底物的接触.在当前的手稿中,我们报告位置l119和w286是促进中链甲基3-羟基脂肪酸氧化的关键残基;有趣的是,对3-羟基丁酸甲酯的对映体偏好被颠倒了.W286A的动力学表征显示v Max升高5.5倍,K M降低9.6倍朝向3-羟基己酸甲酯的值(v最大:2.48ù毫克-和ķ米4.76米米).在119位和286位文库上同时饱和产生了一个双突变体(l119M / W286S),对3-羟基辛酸甲酯的活性提高了30倍以上(wt:无转化;
Doi:10.1002/chem.201702581

专利信息

专利号:US-5474919-A
优先权日:1994-09-13
标题:Bioconversion process for the synthesis of transhydroxy sulfone by Rhodotorula rubra or Rhodotorula piliminae
发明人：CHARTRAIN MICHEL M; KATZ LORRAINE G; KING STEVEN A
权利人:MERCK & CO INC
摘要:There is disclosed a novel microbial bioconversion process for the synthesis of a trans-hydroxy sulfone intermediate, which is the precursor to topical carbonic anhydrase inhibitors (TCAI's). TCAI's are effective in the treatment of glaucoma and ocular hypertension. The bioconversion process is carried out in the presence of the microorganism Rhodotorula rubra, or Rhodotorula piliminae and results in a trans-hydroxy sulfone which exhibits a diastereomeric excess of greater than 95%.

专利号:US-5194671-A
优先权日:1991-05-23
标题 :Process for the preparation of β-ketocarboxylic acid esters
发明人：MEIER JOSEF
权利人:WACKER CHEMIE GMBH
摘要:The invention relates to a process for the preparation of β-ketocarboxylic acid esters of the general formula ##STR1## in which R 1 is an alkyl radical having 1 to 4 C atoms, R 2 is an alkyl radical or alkenyl radical having 2 to 15 C atoms or a phenyl radical and R 3 is hydrogen or an alkyl or alkenyl radical having 1 to 6 C atoms, characterized in that acetocarboxylic acid esters of the general formula ##STR2## in which R 1 and R 3 are as defined, are reacted with calcium hydroxide or calcium oxide in the presence of an organic solvent and in the absence of water, the calcium chelate complexes formed are acylated with carboxylic acid chloride and the products are then cleaved with aqueous ammonium salt solution to form the β-ketocarboxylic acid esters of formula (I). n The β-ketocarboxylic acid esters readily accessible by the process according to the invention can be used as important intermediates in the synthesis of pharmaceutically active ingredients or plant protection agents.

专利号:US-6642390-B2
优先权日:2001-07-11
标 题:One step synthesis of 1,2,3-triazole carboxylic acids
发明人：KOLB HARTMUTH C; CAVALLARO CULLEN; SHI ZHI-CAI; GONTCHAROV ALEXANDER; WANG ZHI-MIN; RICHARDSON PAUL F; KANAMARLAPUDI RAMANAIAH C
权利人:LEXICON PHARMACEUTICALS INC
摘要:Disclosed is a one step method for preparing a 1,2,3-triazole carboxylic acid by treating an azide with a beta-ketoester in the presence of a base.

专利号:US-2003135050-A1
优先权日:2001-07-11
标题 :One step synthesis of 1,2,3-triazole carboxylic acids

专利号:US-5945559-A
优先权日:1996-05-24
标题:Process for producing 3-oxocarboxylic acid esters
发明人：SOTOGUCHI TSUKASA; YUASA YOSHIFUMI; TACHIKAWA AKIO; HARADA SHUNICHI
权利人:TAKASAGO PERFUMERY CO LTD
摘要:A novel process for producing 3-oxocarboxylic acid esters, which are useful as intermediates in the synthesis of ceramides to be used as a humectant, biodegradable polymers, drugs, etc., at a high purity and a high yield without requiring any troublesome procedure, is disclosed. The process comprises reacting an acetoacetic ester with a calcium compound, a barium compound or a strontium compound in the presence of an organic solvent at a temperature of 10 to 120 DEG C., further reacting the obtained product with a carboxylic acid chloride to thereby acylate it, and then adding thereto an alcohol in an amount 1 to 5 times by mol as much as the calcium compound, barium compound or strontium compound to thereby deacetylate the same.

专利号:US-6211412-B1
优先权日:1999-03-29
标题:Synthesis of epothilones