CAS: 2639-63-6; Hexyl Butyrate

该化合物是一种有价值的成分.该化合物在典型的储存条件下具有良好的稳定性,在水中可轻度溶解,但与大多数有机溶剂不相适应.其低挥发性和舒适的嗅觉特征使它适合用于食品调味品,香水和化妆品应用.Hexyl丁酸也被用作有机合成的合成中间体.该化合物的纯度和定义明确的感官特性确保了工业和实验室环境中的可靠性能.

结构式图片

相似化合物

110-39-4 5870-93-9 626-82-4

欧盟法规

REACH注册ECHA物质C&L通报REACH预注册

上下游产品

butyric acid hexan-1-ol hexanoxytrimethylsilane butanoic acid ethyl ester Esters ( phosgene hexan-1-ol trichloromethyl chloroformate bis(trichloromethyl) carbonate2-hexyloxycarbonyloxy-propionic acid tetrahydrofurfuryl ester carbonic acid hexyl ester-(2-nitro-phenyl ester) n-hexyl nitrate hexyl N-phenyl-carbamate

合成工艺路线路线简述

  • 合成目标产物 Hexyl Butyrate 主要起始原料 1-Hexanol
  • (文献来源)合成步骤主要原料 1-Hexanol
(R)-10-Hydroxystearic Acid置于recombinant Baeyer-Villiger Monooxygenase From Pseudomonas Putida Kt2440,Triple Mutant C302L/m340L/m380L,还原型辅酶ii(Nadph)四钠盐,腺嘌呤黄素体系中,用 Aq. Buffer 用作溶剂,化学反应生成丁酸己酯
参考文献:Baeyer-Villiger 单加氧酶中的酶通路隧道工程以提高氧化稳定性和生物催化剂性能
标题:Baeyer-Villiger 单加氧酶中的酶通路隧道工程以提高氧化稳定性和生物催化剂性能
摘要:过氧化氢作为氧化剂或有毒副产物参与多种酶催化.因此,H 2 O 2驱动的氧化应激的减弱是制备型生物催化的关键问题之一.在这里,研究了一种提高酶稳定性的合理方法,特别是针对 H 2 O 2的 Baeyer-Villiger 单加氧酶 (Bvmo).通过使用caver和/或蛋白质能量景观探索 (Pele) 软件对苯丙酮单加氧酶变体 ( Pamo_c65D )从thermobifida Fusca和 Bvmo 来自恶臭假单胞菌kt2440.易被 H 2 O 2氧化的氨基酸残基(例如,蛋氨酸和酪氨酸)并位于预测的 H 2 O 2迁移路径附近,被较低反应性或惰性的氨基酸(例如,亮氨酸和异亮氨酸).这导致了抗 H 2 O 2酶变体的设计,该变体成为用于合成应用的强大生物催化剂.例如,抗 H 2 O 2的恶臭假单胞菌bvmo对 4-癸酮的 Bv 氧化达到了 4,100 的转换数,比亲本酶高 2.8 倍.此外,H
Doi:10.1002/adsc.202101044

海关参考信息

专利信息


专利号:EP-1373548-B1
优先权日:2002-04-08
标 题 :Chemo-enzymatic synthesis of optically enriched rose-oxides
发明人:TANEJA SHUBASH CHANDRA; SETHI VIJAY KUMAR; KOUL SURRINDER; ANDOTRA SAMAR SINGH; QAZI GHULAM NABI
权利人:COUNCIL SCIENT IND RES
摘要:The present invention relates to a process for the synthesis of optically enriched dextro- and leavo-rotatory isomers of rose oxide from racemic citronellol.

专利号:US-5663046-A
优先权日:1994-06-22
标 题:Synthesis of combinatorial libraries
发明人:BALDWIN JOHN J; HORLBECK ERIC G
权利人:PHARMACOPEIA INC
摘要:Directly dividing the contents of each sub-pool into the sub-pools for the next step in the synthetic scheme for producing a combinatorial library reduces the standard deviation, sigma , relative to the standard deviation of the split synthesis method for producing such libraries.

专利号:US-6288297-B1
优先权日:1998-10-01
标 题:Process for the preparation of cyclopropylacetylene
发明人:WANG ZHE; YIN JIANGUO; FORTUNAK JOSEPH M; CAMPAGNA SILVIO
权利人:DU PONT PHARM CO
摘要:The present invention relates generally to novel methods for the synthesis of cyclopropylacetylene which is an essential reagent in the asymmetric synthesis of (S)-6-chloro-4-cyclopropylethynyl-4-trifluoromethyl-1,4-dihydro-2H-3,1-benzoxazin-2-one; a useful human immunodeficiency virus (HIV) reverse transcriptase inhibitor. In the process, for example, cyclopropane carboxaldehyde is alkylated to form 1,1,1-trichloro-2-cyclopropyl-ethanol; which in turn is hydroxy protected to form 1,1,1-trichloro-2-cyclopropylethyltosylate; which in turn undergoes elimination to form cyclopropyl acetylene. This improvement provides for high conversion of inexpensive, readily available starting materials into cyclopropylacetylene, high overall yields and can be conducted on an industrial scale.

专利号:US-4958036-A
优先权日:1986-06-04
标 题:Enantiomerically selective synthesis of certain N-substituted-2-(carbamyl 7-oxabicyclo[2.2.1]heptane-3-carboxylic acids
发明人:THOTTATHIL JOHN K
权利人:SQUIBB & SONS INC
摘要:A process is provided for preparing a 7-oxabicycloheptane amino alcohol intermediate of the general structure ##STR1## (wherein the above structures represents (D) or (L) isomers) n which is useful in preparing thromboxane A 2 receptor antagonists. This intermediate is prepared by reacting mesanhydride with an aryl amine ##STR2## wherein R is alkyl, CH 2 OH, CO 2 H or CO 2 alkyl, to form the acid ##STR3## which is reduced by treatment with lithium aluminum hydride or diisobutylaluminum hydride or Red-Al to form the alcohol ##STR4## wherein R 1 is CH 2 OH when R is CO 2 H, CO 2 alkyl or CH 2 OH, and R 1 is alkyl when R is alkyl; where in the above alcohol R 1 is CH 2 OH, such alcohol compound is treated with an alkyl chloroformate in the presence of base such as an alkali metal alkoxide to form the alcohol ##STR5## which undergoes cleavage by treatment with alkali metal, ammonia and acid to form the amino alcohol intermediate. n Where in the above alcohol R 1 is alkyl, that is ##STR6## such alcohol may be hydrogenated to form the aminoalcohol intermediate. All of the above 7-oxabicycloheptane compounds are novel and also form part of the present invention.

专利号:US-10081591-B2
优先权日:2016-03-17
标 题 :Isomer selective synthesis of methanofullerenes
发明人:JACKSON EDWARD A; RICHTER HENNING
权利人:NANO C INC
摘要:[6,6]-Phenyl C 71 butyric acid derivatives (C 70 -PCBR 3 ) having a selectivity of greater than 95 wt % of the α-isomer are provided by reacting fullerene C 70 with a dialkyl sulfonium tetrafluoroborate having the formula:

专利号:US-7078574-B2
优先权日:2001-04-21
标题 :Method for the intrinsically safe handling of 3-chloropropyne
发明人:STAMM ARMIN; KNEUPER HEINZ-JOSEF; RITTINGER STEFAN; DRANSFELD PETER; SCHILDBERG HANS-PETER; HEILIG MANFRED; WEBER THEODOR
权利人:BASF AG
摘要:A method is provided for the intrinsically safe handling of 3-chloropropyne in the presence of a diluent with a boiling point ranging from −50° C. (223 K) to 200° C. (473 K) under atmospheric pressure, wherein the concentration of 3-chloropropyne in the liquid phase and in the gas phase is kept below the concentrations capable of deflagration by means of the type and amount of the diluent, the temperature and the total system pressure, together with the use of a 3-chloropropyne prepared, stored or transported in this way in the synthesis of dyestuffs, pharmaceutical and agricultural active ingredients, electroplating auxiliaries, disinfectants, steroids and growth hormones.
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主要参考文献

[参考文献]: Rachel S Leisso, Et Al. Chilling-Related Cell Damage Of Apple (Malus × Domestica Borkh.) Fruit Cortical Tissue Impacts Antioxidant, Lipid And Phenolic Metabolism. Physiol Plant. 2015 Feb;153(2):204-20.

合成参考文献


摘要:Food and Cosmetics Toxicology., 17(815), 1979
参考文献:10.1007/s10482-005-9049-3
摘要:Waché Y, Husson F, Feron G, Belin JM. Yeast as an efficient biocatalyst for the production of lipid-derived flavours and fragrances. Antonie Van Leeuwenhoek. 2006 Apr;89(3-4):405–16. doi: 10.1007/s10482-005-9049-3.
参考文献:10.1007/s00253-006-0556-6
摘要:Kirschner A, Altenbuchner J, Bornscheuer UT. Cloning, expression, and characterization of a Baeyer–Villiger monooxygenase from Pseudomonas fluorescens DSM 50106 in E. coli. Applied Microbiology and Biotechnology. 2006 Aug 31;73(5):1065–72. doi: 10.1007/s00253-006-0556-6.
参考文献:10.1007/s00359-005-0069-2
摘要:Olsson SB, Linn CE, Roelofs WL. The chemosensory basis for behavioral divergence involved in sympatric host shifts. I. Characterizing olfactory receptor neuron classes responding to key host volatiles. J Comp Physiol A Neuroethol Sens Neural Behav Physiol. 2006 Mar;192(3):279–88. doi: 10.1007/s00359-005-0069-2.
参考文献:10.1007/s00359-005-0066-5
摘要:Olsson SB, Linn CE, Roelofs WL. The chemosensory basis for behavioral divergence involved in sympatric host shifts II: olfactory receptor neuron sensitivity and temporal firing pattern to individual key host volatiles. J Comp Physiol A Neuroethol Sens Neural Behav Physiol. 2006 Mar;192(3):289–300. doi: 10.1007/s00359-005-0066-5.
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