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Cas Database

114446-57-0

114446-57-0

Identification

  • Product Name:(R)-2-chloro-1-(2',4'-dichlorophenyl)-1-ethanol

  • CAS Number: 114446-57-0

  • EINECS:

  • Molecular Weight:225.502

  • Molecular Formula: C8H7Cl3O

  • HS Code:

  • Mol File:114446-57-0.mol

Synonyms:

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  • Manufacture/Brand:TRC
  • Product Description:(1R)-2-Chloro-1-(2,4-dichlorophenyl)ethan-1-ol
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  • Product Description:(R)-2-Chloro-1-(2,4-dichlorophenyl)ethanol 98%ee:99%
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  • Manufacture/Brand:Ambeed
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  • Manufacture/Brand:AK Scientific
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Relevant articles and documentsAll total 28 Articles be found

Development of an Enzymatic Process for the Synthesis of (S)-2-Chloro-1-(2,4-dichlorophenyl) Ethanol

Wei, Teng-Yun,Tang, Jia-Wei,Ni, Guo-Wei,Wang, Hong-Yi,Yi, Dong,Zhang, Fu-Li,Chen, Shao-Xin

, p. 1822 - 1828 (2019)

(S)-2-Chloro-1-(2,4-dichlorophenyl) ethanol (3) is a chiral intermediate in the synthesis of luliconazole ((R)-E-1). Here, we report a novel biopreparation of 3 by bioreduction of 2-chloro-1-(2,4-dichlorophenyl) ethanone (2) using recombinant Escherichia

Chemoenzymatic Synthesis of Luliconazole Mediated by Lipases

Fonseca, Thiago de S.,Lima, Lara D.,de Oliveira, Maria da C. F.,de Lemos, Telma L. G.,Zampieri, Davila,Molinari, Francesco,de Mattos, Marcos C.

, p. 2110 - 2116 (2018)

A straightforward chemoenzymatic synthesis of luliconazole has been developed. The key step involved the preparation of the enantiomerically pure β-halohydrin (1S)-2-chloro-1-(2,4-dichlorophenyl)-1-ethanol through kinetic resolution of the corresponding racemic acetate. This was achieved by a hydrolytic approach, mediated by the lipase from Thermomyces lanuginosus or Novozym 435. The latter enzyme proved to be a robust biocatalyst for the kinetic resolution, and the (S)-β-halohydrin was obtained with high selectivity (ee > 99 %, E > 200) after just 15 min, at 45 °C. It could be reused five times with maintenance of high values of both conversion and enantioselectivity. Subsequently, the (S)-β-halohydrin was subjected to a mesylation reaction; the mesylated derivative reacted with 1-cyanomethylimidazole in the presence of CS2 to give luliconazole in 43 % yield with >99 % ee.

Efficient biosynthesis of (R)-2-chloro-1-(2, 4-dichlorophenyl) ethanol using a mutant short-chain dehydrogenase from Novosphingobium aromaticivorans

Li, Guifang,Que, Fandi,Tang, Yunping,Zhao, Qiaojun,Zhou, Shuyao,Zhou, Yafeng

, (2020)

(R)-2-chloro-1-(2, 4-dichlorophenyl) ethanol ((R)-CPEO) is an important chiral intermediate for antifungal drug synthesis. (R)-CPEO can be produced from 2-chloro-1-(2, 4-dichlorophenyl) ethanone (CPE) via a mutant short-chain dehydrogenase/reductase from Novosphingobium aromaticivorans (NaSDR). The Vmax of a mutant NaSDR-G145A/I199L toward CPE (6.32 U mg?1) was greater than that of wild-type NaSDR (2.58 U mg?). The Km of mutant NaSDR-G145A/I199L toward CPE (0.23 mM) was less than that of wild-type NaSDR (0.38 mM), indicating that the substrate affinity of mutant NaSDR-G145A/I199L was the greater of the two. Docking simulations were used to illustrate the mechanisms of the increased enzyme activity of NaSDR-G145A/I199L; these showed that NaSDR-G145A/I199L presented a more effective docking posture than that of the wild-type enzyme. Further, NaSDR-G145A/I199L and glucose dehydrogenase (GDH) were used to transform 120 g/L CPE into (R)-CPEO. After 6 h, the conversion rate and enantiomeric excess values were 99% and 99.95%, respectively. The present study provides a practical method for high substrate loading of (R)-CPEO for industrial-scale applications.

Aminoazabenzimidazoles, a Novel Class of Orally Active Antimalarial Agents

Hameed P, Shahul,Chinnapattu, Murugan,Shanbag, Gajanan,Manjrekar, Praveena,Koushik, Krishna,Raichurkar, Anandkumar,Patil, Vikas,Jatheendranath, Sandesh,Rudrapatna, Suresh S.,Barde, Shubhada P.,Rautela, Nikhil,Awasthy, Disha,Morayya, Sapna,Narayan, Chandan,Kavanagh, Stefan,Saralaya, Ramanatha,Bharath, Sowmya,Viswanath, Pavithra,Mukherjee, Kakoli,Bandodkar, Balachandra,Srivastava, Abhishek,Panduga, Vijender,Reddy, Jitender,Prabhakar,Sinha, Achyut,Jiménez-Díaz, María Belén,Martínez, María Santos,Angulo-Barturen, I?igo,Ferrer, Santiago,Sanz, Laura María,Gamo, Francisco Javier,Duffy, Sandra,Avery, Vicky M.,Magistrado, Pamela A.,Lukens, Amanda K.,Wirth, Dyann F.,Waterson, David,Balasubramanian,Iyer, Pravin S.,Narayanan, Shridhar,Hosagrahara, Vinayak,Sambandamurthy, Vasan K.,Ramachandran, Sreekanth

, p. 5702 - 5713 (2014)

Whole-cell high-throughput screening of the AstraZeneca compound library against the asexual blood stage of Plasmodium falciparum (Pf) led to the identification of amino imidazoles, a robust starting point for initiating a hit-to-lead medicinal chemistry effort. Structure-activity relationship studies followed by pharmacokinetics optimization resulted in the identification of 23 as an attractive lead with good oral bioavailability. Compound 23 was found to be efficacious (ED90 of 28.6 mg·kg-1) in the humanized P. falciparum mouse model of malaria (Pf/SCID model). Representative compounds displayed a moderate to fast killing profile that is comparable to that of chloroquine. This series demonstrates no cross-resistance against a panel of Pf strains with mutations to known antimalarial drugs, thereby suggesting a novel mechanism of action for this chemical class.

Asymmetric transfer hydrogenation over Ru-TsDPEN catalysts supported on siliceous mesocellular foam

Huang, Xiaohua,Ying, Jackie Y.

, p. 1825 - 1827 (2007)

A siliceous mesocellular foam-immobilized Ru-TsDPEN complex exhibited excellent catalytic reactivity, enantioselectivity and reusability in the asymmetric transfer hydrogenation of an imine and ketones. The Royal Society of Chemistry.

Enhancing cofactor regeneration of cyanobacteria for the light-powered synthesis of chiral alcohols

Fan, Jianhua,Zhang, Yinghui,Wu, Ping,Zhang, Xiaoyan,Bai, Yunpeng

, (2021/11/24)

Cyanobacteria Synechocystis sp. PCC 6803 was exploited as green cell factory for light-powered asymmetric synthesis of aromatic chiral alcohols. The effect of temperature, light, substrate and cell concentration on substrate conversions were investigated. Under the optimal condition, a series of chiral alcohols were synthesized with conversions up to 95% and enantiomer excess (ee) > 99%. We found that the addition of Na2S2O3 and Angeli's Salt increased the NADPH content by 20% and 25%, respectively. As a result, the time to reach 95% substrate conversion was shortened by 12 h, which demonstrated that the NADPH regeneration and hence the reaction rates can be regulated in cyanobacteria. This blue-green algae based biocatalysis showed its potential for chiral compounds production in future.

Biocatalytic preparation of a key intermediate of antifungal drugs using an alcohol dehydrogenase with high organic tolerance

Yan, Jinrong,Wang, Xiaojing,Li, Fangling,Yang, Lei,Shi, Guixiang,Sun, Weihang,Shao, Lei,Huang, Junhai,Wu, Kai

supporting information, (2021/10/20)

In this study, an alcohol dehydrogenase derived from Lactobacillus kefir (LkADH) was engineered and a simple and practical bioreduction system was developed for the preparation of (R)-2-chloro-1-(2, 4-dichlorophenyl) ethanol ((R)-CDPO), a key intermediate for the synthesis of antifungal drugs. Through active pocket iterative saturation mutagenesis, mutant LkADH-D18 (Y190C/V196L/M206H/D150H) was obtained with high stereoselectivity (99% ee, R vs 87% ee, S) and increased activity (0.44 μmol·min?1·mg?1). LkADH-D18 demonstrated NAD(P)H regeneration capability using a high concentration of isopropanol (IPA) as a co-substrate. Using 40% IPA (v/v), 400 mM of (R)-CDPO (90.1 g·L-1) was obtained via complete substrate conversion using 40 mg·mL?1 LkADH-D18 wet cells. The biocatalytic process catalyzed at constant pH with the cheap co-solvent IPA contributed to improved isolated yield of (R)-CDPO (97%), lower reaction cost, and simpler downstream purification, indicating the potential utility of LkADH-D18 in future industrial applications.

Efficient Biocatalytic Synthesis of (R)-2-Chloro-1-(3,4-difluorophenyl)ethanol by the Short-Chain Dehydrogenase PpKR8 from Paraburkholderia phymatum STM815

He, Ling,Liu, Qinghai,Wang, Hualei,Wei, Dongzhi,Xie, Youyu,Ye, Wenjie

, (2022/02/01)

Bioreductions catalyzed by ketoreductases play an important role in the synthesis of chiral alcohols. However, the synthesis of (R)-2-chloro-1-(3,4-difluorophenyl)ethanol (24b), an important chiral intermediate for the synthesis of the anticoagulant ticagrelor, poses significant challenges in terms of high substrate concentration requirements that limit its production. In this study, a novel NADH-dependent, short-chain dehydrogenase, PpKR8, from Paraburkholderia phymatum STM815, exhibited excellent enantioselectivity and high activity for the production of (R)-CFPL (24b) through the reduction of 2-chloro-1-(3,4-difluorophenyl)ethanone (24a). The coexpression of PpKR8 and glucose dehydrogenase from Bacillus subtilis in Escherichia coli allowed up to 300 g/L (1.57 M) CFPO (24a) to be completely converted into 24b with 99.9% enantiomeric excess and a high space-time yield (728 g/(L day)). Substrate specificity assays demonstrated a broad substrate spectrum for PpKR8, which included 35 α/β-ketoesters, aromatic ketones, and heterocyclic ketones. Moreover, three additional optically pure chiral alcohols that are used as important drug intermediates were synthesized at high substrate concentrations (150-330 g/L), demonstrating the excellent industrial potential of PpKR8-mediated bioreductions.

CATALYSTS

-

Page/Page column 31; 37, (2020/12/11)

A compound, e.g. a diamine ligand, represented by the following general formula (1): (Formula (1)) wherein each * represents an asymmetric carbon atom; X represents a group selected from one of an ester (e.g. a t-butyl ester); a thioester; an amide; a heterocyclic moiety (e.g. a five-membered heterocyclic ring) comprising one or more of O, S, Se, and/or P (e.g. a furan, a tetrahydrofuran, a thiophene, an isoxazole, a bromo-furan, or a thiazole); a moiety (e.g. a five-membered heterocyclic ring) comprising a nitrogen atom, wherein the nitrogen atom is protected with a protecting group containing an electron-withdrawing group, preferably the protecting group is selected from one of a carbamate protecting group, an amide protecting group, an aryl sulphonamide protecting group, or an alkyl sulphonamide protecting group; and optionally X may additionally comprise a solid support, e.g. a polymeric or a silica particle; Y represents or is CtT'T'' where 't' is 0 or 1 and when 't' is 1 T' and T'' may individually represent a substituent, e.g. if t is 1, T' and/or T'' may each be hydrogen or deuterium atom, or a halogen atom; for example, Y may represent a carbon atom comprising two further substituents; Z represents a hydrogen atom or a deuterium atom; R1 represents an alkyl group (e.g. a functionalised alkyl group) preferably having between 1 to 100 carbon atoms, for example, between 1 to 30 carbon atoms (e.g. 1 to 20 carbon atoms, or 1 to 10 carbon atoms), a halogenated alkyl group preferably having between 1 to 100 carbon atoms (e.g. CF3), for example, between 1 to 30 carbon atoms (e.g. 1 to 20 carbon atoms, or 1 to 10 carbon atoms), an aryl group preferably having between 5 to 100 carbon atoms, e.g. 6 to 30 carbon atoms and optionally having one or more substituents selected from alkyl groups preferably having 1 to 100 carbon atoms, e.g. 1 to 10 carbon atoms, halogenated alkyl groups preferably having 1 to 100 carbon atoms, e.g. 1 to 10 carbon atoms, and/or halogen atoms; or R1 represents a solid support, e.g. a silica particle or a polymeric particle; R2 and R3 each independently represent a group selected from alkyl groups preferably having between 1 to 100 carbon atoms, for example 1 to 20 carbon atoms (e.g. 1 to 10 carbon atoms), aryl groups (e.g. phenyl groups), and cycloalkyl groups preferably having 3 to 8 carbon atoms, the aryl group or phenyl group optionally having one or more substituents selected from alkyl groups preferably having between 1 to 100 carbon atoms, e.g. between 1 to 20 carbon atoms (e.g. 1 to 10 carbon atoms), alkoxy groups preferably having between 1 to 100 carbon atoms, for example, between 1 to 20 carbon atoms (e.g. 1 to 10 carbon atoms), and halogen atoms, and each hydrogen atom of the cycloalkyl groups being optionally replaced by an alkyl group preferably having between 1 to 100 carbon atoms, e.g. 1 to 20 carbon atoms (e.g. 1 to 10 carbon atoms), or R1 represents a polyethylene glycol (PEG) moiety having the formula C2nH4n+2On+1 wherein n is an integer between 1 and 100; or R2 and R3 form a ring together with carbon atoms to which R2 and R3 are bonded; R4 represents a hydrogen atom or a deuterium atom.

Lipase mediated enzymatic kinetic resolution of phenylethyl halohydrins acetates: A case of study and rationalization

Fonseca, Thiago de Sousa,Vega, Kimberly Benedetti,da Silva, Marcos Reinaldo,de Oliveira, Maria da Concei??o Ferreira,de Lemos, Telma Leda Gomes,Contente, Martina Letizia,Molinari, Francesco,Cespugli, Marco,Fortuna, Sara,Gardossi, Lucia,de Mattos, Marcos Carlos

, (2020/02/18)

Racemic phenylethyl halohydrins acetates containing several groups attached to the aromatic ring were resolved via hydrolysis reaction in the presence of lipase B from Candida antarctica (Novozym 435). In all cases, the kinetic resolution was highly selective (E > 200) leading to the corresponding (S)-β-halohydrin with ee > 99 %. However, the time required for an ideal 50 % conversion ranged from 15 min for 2,4-dichlorophenyl chlorohydrin acetate to 216 h for 2-chlorophenyl bromohydrin acetate. Six chlorohydrins and five bromohydrins were evaluated, the latter being less reactive. For the β-brominated substrates, steric hindrance on the aromatic ring played a crucial role, which was not observed for the β-chlorinated derivatives. To shed light on the different reaction rates, docking studies were carried out with all the substrates using MD simulations. The computational data obtained for the β-brominated substrates, based on the parameters analysed such as NAC (near attack conformation), distance between Ser-O and carbonyl-C and oxyanion site stabilization were in agreement with the experimental results. On the other hand, the data obtained for β-chlorinated substrates suggested that physical aspects such as high hydrophobicity or induced change in the conformation of the enzymatic active site are more relevant aspects when compared to steric hindrance effects.

Process route upstream and downstream products

Process route

α-(chloromethyl)-2,4-dichlorobenzyl alcohol
13692-14-3,114446-57-0

α-(chloromethyl)-2,4-dichlorobenzyl alcohol

Conditions
Conditions Yield
2,2',4'-trichloroacetophenone
4252-78-2

2,2',4'-trichloroacetophenone

α-(chloromethyl)-2,4-dichlorobenzyl alcohol
13692-14-3,114446-57-0

α-(chloromethyl)-2,4-dichlorobenzyl alcohol

Conditions
Conditions Yield
With sodium tetrahydroborate; In methanol; at 0 ℃; for 1h; Inert atmosphere;
98%
With sodium tetrahydroborate; In methanol; at 0 - 20 ℃; for 0.666667h;
90%
With sodium tetrahydroborate; In methanol; at 0 - 20 ℃; for 0.666667h;
90%
With sodium tetrahydroborate; In methanol; at 0 - 20 ℃; for 6h;
90.1%
2,2',4'-trichloroacetophenone; With sodium tetrahydroborate; In methanol; at 0 - 20 ℃; for 1.5h; Inert atmosphere;
With water; In methanol;
89%
With sodium tetrahydroborate; In isopropyl alcohol; at 3 - 20 ℃; for 2h;
73%
With sodium tetrahydroborate; In methanol; at 20 ℃;
With sodium tetrahydroborate; In methanol; Inert atmosphere;
With methanol; sodium tetrahydroborate; at 0 ℃; for 0.25h;
1.99 g
With aluminum isopropoxide; In isopropyl alcohol; at 65 ℃; for 5h; Green chemistry; Industrial scale;
With methanol; sodium tetrahydroborate; Inert atmosphere;
2,2',4'-trichloroacetophenone
4252-78-2

2,2',4'-trichloroacetophenone

(S)-2-chloro-1-(2',4'-dichlorophenyl)-1-ethanol
114446-57-0

(S)-2-chloro-1-(2',4'-dichlorophenyl)-1-ethanol

(R)-2-chloro-1-(2',4'-dichlorophenyl)-1-ethanol
114446-57-0

(R)-2-chloro-1-(2',4'-dichlorophenyl)-1-ethanol

Conditions
Conditions Yield
With formic acid*triethylamine; Ru/(S,S)-DPEN/MCF; In dichloromethane; at 20 ℃; for 12h;
99%
With formic acid; C32H31ClN2O3RuS; triethylamine; In dichloromethane; at 20 ℃; Inert atmosphere;
97%
With alcohol dehydrogenase PR2; isopropyl alcohol; NADPH; magnesium chloride; at 30 ℃; for 24h; pH=7.5; optical yield given as %ee; TRIS-HCl buffer; Enzymatic reaction;
With D-glucose; dehydrogenase from Bacillus megaterium; NADP; In aq. phosphate buffer; dimethyl sulfoxide; at 30 ℃; pH=6.5; enantioselective reaction;
80 % ee
With D-glucose; dehydrogenase from Bacillus megaterium; NADP; In aq. phosphate buffer; dimethyl sulfoxide; at 30 ℃; pH=6.5; enantioselective reaction;
4.9 % ee
With NADP; In aq. phosphate buffer; isopropyl alcohol; at 25 ℃; for 1.5h; pH=7; Reagent/catalyst; Solvent; enantioselective reaction; Enzymatic reaction;
82 % ee
With D-glucose; NADP; alcohol dehydrogenase derived from Lactobacillus kefir mutant Y190C/V196L/M206H; isopropyl alcohol; In aq. buffer; at 30 ℃; for 0.166667h; Reagent/catalyst; enantioselective reaction; Enzymatic reaction;
89 % ee
With D-glucose; NADP; alcohol dehydrogenase derived from Lactobacillus kefir wild type; isopropyl alcohol; In aq. buffer; at 30 ℃; for 0.166667h; enantioselective reaction; Enzymatic reaction;
87 % ee
With Synechocystis sp. PCC 6803; In dimethyl sulfoxide; at 30 ℃; for 48h; enantioselective reaction;
84 % ee
2,2',4'-trichloroacetophenone
4252-78-2

2,2',4'-trichloroacetophenone

(S)-2-chloro-1-(2',4'-dichlorophenyl)-1-ethanol
114446-57-0

(S)-2-chloro-1-(2',4'-dichlorophenyl)-1-ethanol

(R)-2-chloro-1-(2',4'-dichlorophenyl)-1-ethanol
114446-57-0

(R)-2-chloro-1-(2',4'-dichlorophenyl)-1-ethanol

Conditions
Conditions Yield
With formic acid*triethylamine; Ru/(S,S)-DPEN/MCF; In dichloromethane; at 20 ℃; for 12h;
99%
With formic acid; C32H31ClN2O3RuS; triethylamine; In dichloromethane; at 20 ℃; Inert atmosphere;
97%
With alcohol dehydrogenase PR2; isopropyl alcohol; NADPH; magnesium chloride; at 30 ℃; for 24h; pH=7.5; optical yield given as %ee; TRIS-HCl buffer; Enzymatic reaction;
With D-glucose; dehydrogenase from Bacillus megaterium; NADP; In aq. phosphate buffer; dimethyl sulfoxide; at 30 ℃; pH=6.5; enantioselective reaction;
80 % ee
With D-glucose; dehydrogenase from Bacillus megaterium; NADP; In aq. phosphate buffer; dimethyl sulfoxide; at 30 ℃; pH=6.5; enantioselective reaction;
4.9 % ee
With NADP; In aq. phosphate buffer; isopropyl alcohol; at 25 ℃; for 1.5h; pH=7; Reagent/catalyst; Solvent; enantioselective reaction; Enzymatic reaction;
82 % ee
With D-glucose; NADP; alcohol dehydrogenase derived from Lactobacillus kefir mutant Y190C/V196L/M206H; isopropyl alcohol; In aq. buffer; at 30 ℃; for 0.166667h; Reagent/catalyst; enantioselective reaction; Enzymatic reaction;
89 % ee
With D-glucose; NADP; alcohol dehydrogenase derived from Lactobacillus kefir wild type; isopropyl alcohol; In aq. buffer; at 30 ℃; for 0.166667h; enantioselective reaction; Enzymatic reaction;
87 % ee
With Synechocystis sp. PCC 6803; In dimethyl sulfoxide; at 30 ℃; for 48h; enantioselective reaction;
84 % ee
2,2',4'-trichloroacetophenone
4252-78-2

2,2',4'-trichloroacetophenone

(R)-2-chloro-1-(2',4'-dichlorophenyl)-1-ethanol
114446-57-0

(R)-2-chloro-1-(2',4'-dichlorophenyl)-1-ethanol

Conditions
Conditions Yield
With D-glucose; glucose dehydrogenase from Bacillus megaterium; perakine reductase; NADPH; In aq. phosphate buffer; at 30 ℃; for 10h; pH=7; enantioselective reaction; Enzymatic reaction;
99%
With borane N,N-diethylaniline complex; (R)-α,α-diphenylprolinol; In tert-butyl methyl ether; at 25 - 35 ℃; for 1h; Reagent/catalyst; stereoselective reaction; Inert atmosphere; Large scale;
93.2%
With glucose dehydrogenase; 2,3,4,5,6-pentahydroxy-hexanal; NAD; mutant short-chain dehydrogenase/reductase from Novosphingobium aromaticivorans-G145A/I199L; In aq. buffer; at 35 ℃; for 6h; pH=7 - 8; enantioselective reaction; Green chemistry; Enzymatic reaction;
92.4%
With nicotinamide adenine dinucleotide phosphate; isopropyl alcohol; In dimethyl sulfoxide; at 30 ℃; for 24h; pH=7.5; Reagent/catalyst; enantioselective reaction; Enzymatic reaction;
89%
With glucose dehydrogenase; pET28-bmgdh-cgcr; sodium carbonate; In aq. phosphate buffer; toluene; at 30 ℃; for 12h; pH=6.5; enantioselective reaction; Enzymatic reaction;
88%
With Vigna unguiculata powder; In water; isopropyl alcohol; at 30 ℃; for 72h; optical yield given as %ee; enantioselective reaction;
78%
With alcohol dehydrogenase from Rhodococcus rubber; isopropyl alcohol; NADH; at 30 ℃; for 24h; pH=7.5; optical yield given as %ee; TRIS-HCl buffer; Enzymatic reaction;
100 mg
With D-glucose; dehydrogenase from Bacillus megaterium; ketoreductase cloned from Scheffersomyces stipitis CBS 6045; NADP; In aq. phosphate buffer; dimethyl sulfoxide; at 30 ℃; for 6h; pH=6.5; Concentration; Time; enantioselective reaction;
> 99 % ee
With D-glucose; NADP; In aq. phosphate buffer; at 25 ℃; for 1.5h; pH=7; Reagent/catalyst; enantioselective reaction; Enzymatic reaction;
> 99 % ee
With D-glucose; NADP; alcohol dehydrogenase derived from Lactobacillus kefir mutant LkADH-D18 (Y190C/V196L/M206H/D150H); glucose dehydrogenase (GDH) from Bacillus subtilis CGMCC 1.1398; isopropyl alcohol; In aq. buffer; pH=7.6; Reagent/catalyst; enantioselective reaction; Catalytic behavior; Enzymatic reaction;
99.12 % ee
With D-glucose; NAD; In aq. phosphate buffer; at 37 ℃; for 10h; pH=6; enantioselective reaction; Microbiological reaction;
> 99.9 % ee
2,2',4'-trichloroacetophenone
4252-78-2

2,2',4'-trichloroacetophenone

(S)-2-chloro-1-(2',4'-dichlorophenyl)-1-ethanol
114446-57-0

(S)-2-chloro-1-(2',4'-dichlorophenyl)-1-ethanol

Conditions
Conditions Yield
With [ruthenium(II)(η6-1-methyl-4-isopropyl-benzene)(chloride)(μ-chloride)]2; (R,R,R)-CrDPEN; sodium formate; fipronilβ-cyclodextrin; In water; at 40 - 50 ℃; Reagent/catalyst; Temperature; Inert atmosphere;
96%
With NADP; In aq. phosphate buffer; isopropyl alcohol; at 35 ℃; for 30h; pH=6; pH-value; Temperature; Concentration; enantioselective reaction; Catalytic behavior; Enzymatic reaction;
94.3%
With borane N,N-diethylaniline complex; (S)-diphenylprolinol; In tert-butyl methyl ether; at 25 - 35 ℃; for 1h; Reagent/catalyst; stereoselective reaction; Inert atmosphere; Large scale;
93.2%
With glucose dehydrogenase; pET28-bmgdh-dhcr; sodium carbonate; In aq. phosphate buffer; toluene; at 30 ℃; for 12h; pH=6.5; enantioselective reaction; Green chemistry; Enzymatic reaction;
89%
With borane Ν,Ν-diethylaniline complex; (S)-1-methyl-3,3-diphenyl-hexahydropyrrolo[1,2-c][1,3,2]oxazaborole; In tert-butyl methyl ether; toluene; at 0 ℃; for 2.5h;
89%
With (-)-diisopinocamphenylborane chloride; In tetrahydrofuran; dimethyl sulfoxide; at 0 ℃; for 3h; Solvent; Temperature; Inert atmosphere;
84%
Multi-step reaction with 2 steps
1: (R,R)-2,3-bis(tert-butyl(methyl)phosphino)quinoxaline / [Rh(cod)2]BF4 / tetrahydrofuran / 2 h / 0 °C
2: HCl / tetrahydrofuran / 20 °C
With (R,R)-(?)-2,3-bis(t-butylmethylphosphino)quinoxaline; hydrogenchloride; bis(1,5-cyclooctadiene)rhodium(I) tetrafluoroborate; In tetrahydrofuran;
With alcohol dehydrogenase from Lactobacillus brevis; isopropyl alcohol; NADPH; magnesium chloride; at 30 ℃; for 24h; pH=7.5; optical yield given as %ee; TRIS-HCl buffer; Enzymatic reaction;
53 %Chromat.
With anti-Prelog short-chain dehydrogenase/reductase EbSDR8 from Empedobacter brevis ZJUY-1401; isopropyl alcohol; NADH; In aq. phosphate buffer; at 35 ℃; for 4h; pH=7.5; enantioselective reaction; Enzymatic reaction;
99.4 % ee
With dehydrogenase/reductase from Empedobacter brevis ZJUY-1401 G94A/S153L mutant; NADH; Reagent/catalyst; stereoselective reaction; Kinetics; Enzymatic reaction;
With nicotinamide adenine dinucleotide phosphate; isopropyl alcohol; In dimethyl sulfoxide; at 30 ℃; for 24h; pH=7.5; enantioselective reaction; Enzymatic reaction;
> 99 % ee
rac-2-chloro-1-(2,4-dichlorophenyl)ethyl acetate
53066-16-3

rac-2-chloro-1-(2,4-dichlorophenyl)ethyl acetate

(S)-2-chloro-1-(2',4'-dichlorophenyl)-1-ethanol
114446-57-0

(S)-2-chloro-1-(2',4'-dichlorophenyl)-1-ethanol

2-chloro-1-(2,4-dichlorophenyl)ethyl acetate

2-chloro-1-(2,4-dichlorophenyl)ethyl acetate

Conditions
Conditions Yield
With candida antarctica lipase type B immobilized on acrylic resin; In aq. phosphate buffer; at 45 ℃; for 0.25h; pH=7; Reagent/catalyst; Temperature; Time; enantioselective reaction; Catalytic behavior; Resolution of racemate; Enzymatic reaction;
46.5%
44.5%
With Candida antarctica lipase B; In aq. phosphate buffer; at 45 ℃; for 0.25h; pH=7; enantioselective reaction; Enzymatic reaction;
> 99 % ee
[(S)-2-Chloro-1-(2,4-dichloro-phenyl)-ethoxy]-naphthalen-1-yl-phenyl-silane

[(S)-2-Chloro-1-(2,4-dichloro-phenyl)-ethoxy]-naphthalen-1-yl-phenyl-silane

(S)-2-chloro-1-(2',4'-dichlorophenyl)-1-ethanol
114446-57-0

(S)-2-chloro-1-(2',4'-dichlorophenyl)-1-ethanol

Conditions
Conditions Yield
With hydrogenchloride; In tetrahydrofuran; at 20 ℃;
rac-2-chloro-1-(2,4-dichlorophenyl)ethyl acetate
53066-16-3

rac-2-chloro-1-(2,4-dichlorophenyl)ethyl acetate

(S)-2-chloro-1-(2',4'-dichlorophenyl)-1-ethanol
114446-57-0

(S)-2-chloro-1-(2',4'-dichlorophenyl)-1-ethanol

2-chloro-1-(2,4-dichlorophenyl)ethyl acetate

2-chloro-1-(2,4-dichlorophenyl)ethyl acetate

chloro-1-(2,4-dichlorophenyl)ethyl acetate

chloro-1-(2,4-dichlorophenyl)ethyl acetate

Conditions
Conditions Yield
With thermomyces lanuginosus lipase immobilized on immobead-150; In aq. phosphate buffer; at 45 ℃; for 0.25h; pH=7; Reagent/catalyst; enantioselective reaction; Resolution of racemate; Enzymatic reaction;
41 % ee
> 99 % ee
rac-2-chloro-1-(2,4-dichlorophenyl)ethyl acetate
53066-16-3

rac-2-chloro-1-(2,4-dichlorophenyl)ethyl acetate

(S)-2-chloro-1-(2',4'-dichlorophenyl)-1-ethanol
114446-57-0

(S)-2-chloro-1-(2',4'-dichlorophenyl)-1-ethanol

(R)-2-chloro-1-(2',4'-dichlorophenyl)-1-ethanol
114446-57-0

(R)-2-chloro-1-(2',4'-dichlorophenyl)-1-ethanol

2-chloro-1-(2,4-dichlorophenyl)ethyl acetate

2-chloro-1-(2,4-dichlorophenyl)ethyl acetate

chloro-1-(2,4-dichlorophenyl)ethyl acetate

chloro-1-(2,4-dichlorophenyl)ethyl acetate

Conditions
Conditions Yield
With amano PS from burkholderia cepacia immobilized on diatomaceous earth; In aq. phosphate buffer; at 30 ℃; for 19h; pH=7; Reagent/catalyst; enantioselective reaction; Resolution of racemate;
80 % ee
74 % ee

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