90-63-1 (1-羟基-1-苯基丙-2-酮,1-Hydroxy-1-phenylpropan-2-one)

快速询单

结构式：

1-羟基-1-苯基丙-2-酮MOL文件

CAS号：

90-63-1

中文名称：

1-羟基-1-苯基丙-2-酮

英文名称：

1-Hydroxy-1-phenylpropan-2-one

分子式：

C₉H₁₀O₂

分子量：

150.174502849579

1-羟基-1-苯基丙-2-酮(90-63-1)名称与标识符

名称

中文别名：

1-羟基-1-苯基-2-丙酮;1-羟基-1-苯丙酮;1-羟基-1-苯乙酮;5-(4-羟基丁基)咪唑烷-2,4-二酮;麻黄碱杂质A;1-羟基-1-苯基丙-2-酮;

英文别名：

1-Hydroxy-1-phenyl-2-propanone;1-hydroxy-1-phenylacetone;1-Hydroxy-1-phenylpropan-2-one;2-Propanone,1-hydroxy-1-phenyl-;L-PHENYLACETYLCARBINOL;1-hydoxy-1-phenylpropan-2-one;1-hydroxy-1-phenylpropanone;1-Phenyl-1-hydroxypropan-2-one;1-Phenyl-2-oxo-1-propanol;1-Phenylacetylcarbinol;Phenylacetylcarbinol;1-Hydroxy-2-oxo-1-phenylpropane;(+/-)-phenylacetylcarbinol;ZBFFNPODXBJBPW-UHFFFAOYSA-N;1-Hydroxy-1-phenylacetone #;Ephedrine Impurity A (Racemic);1-Hydroxy,1-phenyl-2-propanone;2-Propanone, 1-hydroxy-1-phenyl-;NSC404583;5136AJ;1-Hydroxy-1-phenyl-2-propanone (ACI);NSC 404583;α-Hydroxybenzyl methyl ketone;CHEMBL321266;PHENYLACETYLCARBINOL, (+/-)-;MFCD03792883;InChI=1/C9H10O2/c1-7(10)9(11)8-5-3-2-4-6-8/h2-6,9,11H,1H;NSC-404583;NS-01150;SY028287;L-phenyl acetyl carbinol;90-63-1;.ALPHA.-HYDROXYBENZYL METHYL KETONE;UNII-549MDP6U9F;AC1336;CS-0186348;CHEBI:149767;AI3-20452;AMPHETAMINE HYDROXY KEYTONE DERIVATIVE;SCHEMBL26259;NS00003919;Q413710;EINECS 202-006-0;AKOS006276148;EN300-1590241;549MDP6U9F;DTXSID50861683;

标识符

MDL：

MFCD03792883

InChIKey：

ZBFFNPODXBJBPW-UHFFFAOYSA-N

Inchi：

1S/C9H10O2/c1-7(10)9(11)8-5-3-2-4-6-8/h2-6,9,11H,1H3

SMILES：

O=C(C(C1C=CC=CC=1)O)C

1-羟基-1-苯基丙-2-酮(90-63-1)物化性质

实验特性

LogP : 1.30900
PSA : 37.30000
沸点 : 253 ºC
闪点 : 105 ºC
密度 : 1.119

计算特性

精确分子量 : 150.06800
氢键供体数量 : 1
氢键受体数量 : 2
可旋转化学键数量 : 2
同位素质量 : 150.068
重原子数量 : 11
复杂度 : 137
同位素原子数量 : 0
确定原子立构中心数量 : 0
不确定原子立构中心数量 : 1
确定化学键立构中心数量 : 0
不确定化学键立构中心数量 : 0
共价键单元数量 : 1
疏水参数计算参考值（XlogP） : 1
拓扑分子极性表面积 : 37.3

1-羟基-1-苯基丙-2-酮(90-63-1)国际标准相关数据

EINECS：

404583

1-羟基-1-苯基丙-2-酮(90-63-1)推荐厂家更多厂家(29)

公司名称	手机号/电话	联系人	QQ	询单
湖北鑫红利化工有限公司	15172537016 027-59503710	吕经理	1018283355	询单
上海吉至生化科技有限公司	18117592386 021-57481218	吉至试剂	3007522982	询单
湖北摆渡化学有限公司	13517219350 13517219350	彭星	1400878899	询单
赫澎（上海）生物科技有限公司	13122891558 186-16545970	张硕	3418426269	询单
湖北成海化工有限公司	13986212397 027-59220433	张思胧	1400858822	询单
湖北永阔科技有限公司	18771920143 027-59223108	郭经理	1248580055	询单
湖北巨胜科技有限公司	18871490354	王珊	1400848866	询单
巨胜化学研究院	18064118002 027-59599240	陈盼	1400838822	询单
湖北信康药化有限公司化学研究所	18827031272 027-59308705	肖经理	1438980011	询单
天门恒昌化工有限公司	15102714773 027-59322316	雷经理	1178380033	询单

1-羟基-1-苯基丙-2-酮(90-63-1)合成路线

合成路线：1 步

反应条件：

1.1R:Codehydrase I, S:H2O, 50 h, 30°C

参考文献：

Biodegradation of ephedrine isomers by Arthrobacter sp. strain TS-15: discovery of novel ephedrine and pseudoephedrine dehydrogenases

By Shanati, Tarek and Ansorge-Schumacher, Marion B., Applied and Environmental Microbiology, 2020, 86(6), e02487-19

合成路线：1 步

5551-28-0

_100%

90-63-1

反应条件：

1.1 Reagents: Sodium bicarbonate Solvents: Tetrahydrofuran , Water ; 2 d, rt

参考文献：

Purified mCPBA, a Useful Reagent for the Oxidation of Aldehydes

Horn, Alexander; Kazmaier, Uli, European Journal of Organic Chemistry, 2018, 2018(20-21), 2531-2536

合成路线：1 步

579-07-7

_100%

90-63-1

反应条件：

1.1 Reagents: Hydrogen Catalysts: (3-Aminopropyl)triethoxysilane (reaction product with montmorillonite and palladium complex) , Montmorillonite ((Al1.33-1.67Mg0.33-0.67)(Ca0-1Na0-1)0.33Si4(OH)2O10.xH2O) (reaction product with (aminopropyl)triethoxysilane and palladium complex) , Bis(benzeneacetonitrile)dichloropalladium (reaction product with (3-aminopropyl)triethoxysilane and montmorillonite) Solvents: Ethanol

参考文献：

Selective reductions of aromatic carbonyls and nitrobenzene by a new interlamellar montmorillonite-silylamine-palladium(II) catalyst

Rao, Y. V. Subba; Mukkanti, K.; Choudary, B. M., Journal of Molecular Catalysis, 1989, 49(2),

合成路线：1 步

5650-40-8

_100%

90-63-1

反应条件：

1.1 Reagents: Hydrogen bromide Solvents: Methanol , Water

参考文献：

Isomeric transformations of α-keto alcohols. II. The reactions of phenylacetyl- and methylbenzoylcarbinols

Temnikova, T. I., Zhurnal Obshchei Khimii, 1940, 10, 468-79

合成路线：1 步

100-52-7

75-07-0

_99%

90-63-1

反应条件：

1.1 Reagents: Diisopropylethylamine Catalysts: 1,2,4-Triazolo[4,3-a]pyridinium, 5,6,7,8-tetrahydro-2-(2,3,4,5,6-pentafluorophen… Solvents: Dichloromethane ; 0.5 - 8 h, 70 °C

参考文献：

1,2,4-Triazolo[4,3-a]pyridinium, 5,6,7,8-tetrahydro-2-(2,3,4,5,6-pentafluorophenyl)-, tetrafluoroborate

Langdon, Steven M.; Gravel, Michel, e-EROS Encyclopedia of Reagents for Organic Synthesis, 2016, 1, 1-2

合成路线：1 步

19980-25-7

_91%

90-63-1

反应条件：

1.1 Reagents: Acetone , N-methylmorpholine N-oxide , Sulfuric acid , Osmium tetroxide Solvents: Water

参考文献：

α-Hydroxylation of enolates and silyl enol ethers

Chen, Bang-Chi; Zhou, Ping; Davis, Franklin A.; Ciganek, Engelbert, Organic Reactions (Hoboken, 2003, 62,

合成路线：1 步

26226-58-4

_90%

90-63-1

反应条件：

1.1 Reagents: Water Solvents: Water

参考文献：

The chlorination of propiophenone; determination of pKa value and of the course of the reaction

Guthrie, J. Peter; Cossar, John, Canadian Journal of Chemistry, 1990, 68(11), 2060-9

合成路线：1 步

_89%

反应条件：

1.1 Reagents: Butyllithium Solvents: Tetrahydrofuran , Hexane ; 10 min, -40 °C
1.2 Solvents: Tetrahydrofuran ; 20 min, -78 °C
1.3 Reagents: Ammonium chloride Solvents: Water ; -78 °C

参考文献：

Formation of α-hydroxyketones via irregular Wittig reaction

Okada, Hideki; Mori, Tomonori; Saikawa, Yoko; Nakata, Masaya, Tetrahedron Letters, 2009, 50(12), 1276-1278

合成路线：1 步

1855-09-0

_85%

90-63-1

反应条件：

1.1 Reagents: Sodium bicarbonate Catalysts: Rhodium, tetrakis[μ-[N-(3,4-dihydro-2H-pyrrol-5-yl-κN)methanesulfonamidato-κN]]d… Solvents: Dichloromethane , Water ; rt
1.2 Reagents: tert-Butyl hydroperoxide Solvents: Water ; 24 h, 40 °C

参考文献：

Selective oxidation of benzylic, allylic and propargylic alcohols using dirhodium (II) tetraamidinate as catalyst and aqueous tert-butyl hydroperoxide as oxidant

Wusiman, Abudureheman; Lu, Chong-Dao, Applied Organometallic Chemistry, 2015, 29(4), 254-258

合成路线：1 步

78349-00-5

_85%

90-63-1

反应条件：

1.1 Solvents: Acetonitrile

参考文献：

Deprotection of carbonyl groups by anodic oxidation of dithioacetals. A key step in the synthesis of α-diones, α-ketols and chiral synthons

Martre, Anne Marie; Mousset, Guy; Rhlid, Rachid Bel; Veschambre, Henri, Tetrahedron Letters, 1990, 31(18), 2599-602

合成路线：1 步

22596-45-8

_83%

90-63-1

反应条件：

1.1 Catalysts: Dowex 50W Solvents: Water

参考文献：

Ion exchange resin-mediated hydrolytic cleavage of α-nitro epoxides. Simple one-pot synthesis of α-hydroxy ketones

Chakraborty, Rupak; Das, Asish R.; Ranu, Brindaban C., Synthetic Communications, 1992, 22(11), 1523-8

合成路线：1 步

53411-95-3

100-52-7

_82%

90-63-1

反应条件：

1.1 Reagents: Hexamethylphosphoramide , Lithium diisopropylamide Solvents: Tetrahydrofuran ; -78 °C

参考文献：

Addition and substitution reactions of nitrile-stabilized carbanions

Arseniyadis, Simeon; Kyler, Keith S.; Watt, David S., Organic Reactions (Hoboken, 1984, 31,

合成路线：1 步

141-78-6

98-88-4

_82%

90-63-1

反应条件：

1.1 Reagents: Samarium iodide (SmI2) Catalysts: Nickel iodide (NiI2) Solvents: Tetrahydrofuran
1.2 -
1.3 Reagents: Water
1.4 Reagents: Hydrochloric acid Solvents: Water

参考文献：

Nucleophilic acylation of esters by acid chlorides mediated by samarium diiodide: formation and use of samarium enediolates

Machrouhi, Fouzia; Namy, Jean-Louis; Kagan, Henri B., Tetrahedron Letters, 1997, 38(41), 7183-7186

合成路线：1 步

163799-44-8

_80%

90-63-1

反应条件：

1.1 Reagents: Tetrabutylammonium fluoride Solvents: Methanol ; 2 h, rt

参考文献：

Hyphenating the Curtius rearrangement with Morita-Baylis-Hillman adducts: synthesis of biologically active acyloins and vicinal amino alcohols

Amarante, Giovanni W.; Cavallaro, Mayra; Coelho, Fernando, Journal of the Brazilian Chemical Society, 2011, 22(8), 1568-1584

合成路线：1 步

2387307-22-2

2387307-21-1

_76%

90-63-1

反应条件：

1.1 Reagents: Carbon disulfide , 1,8-Diazabicyclo[5.4.0]undec-7-ene Solvents: Acetonitrile ; 5 min, 0 °C
1.2 Reagents: 2-tert-Butyl-1,1,3,3-tetramethylguanidine Solvents: Water ; 5 min, 0 °C; 1 h, rt
1.3 Reagents: Hydrochloric acid , Sodium chloride Solvents: 2-Methyltetrahydrofuran , Water ; 0 °C; 3 h, rt

参考文献：

Sequential Reduction of Nitroalkanes Mediated by CS2 and Amidine/Guanidine Bases: A Controllable Nef Reaction

Ju, Minsoo; Guan, Weiyang; Schomaker, Jennifer M. ; Harper, Kaid C., Organic Letters, 2019, 21(22), 8893-8898

合成路线：1 步

103-79-7

_74%

90-63-1

反应条件：

1.1 Reagents: Sodium bis(trimethylsilyl)amide Solvents: Tetrahydrofuran
1.2 Reagents: Dimethyldioxirane Solvents: Acetone

参考文献：

Highly efficient hydroxylation of carbonyl compounds with dimethyldioxirane

Adam, Waldemar; Prechtl, Frank, Chemische Berichte, 1991, 124(10), 2369-72

合成路线：1 步

1584730-80-2

_73%

90-63-1

反应条件：

1.1 Catalysts: Bis(dichloro(η6-p-cymene)ruthenium) Solvents: Methanol ; 30 min, 0 °C
1.2 Reagents: m-Chloroperbenzoic acid Solvents: Dichloromethane ; 5 h, 0 °C
1.3 Reagents: Potassium bicarbonate , Hydrogen peroxide , Potassium bifluoride Solvents: Methanol , Tetrahydrofuran , Water ; 3 h, rt
1.4 Reagents: Sodium bicarbonate Solvents: Water ; 0 °C

参考文献：

Iron-Catalyzed Regiodivergent Alkyne Hydrosilylation

Hu, Meng-Yang; He, Peng; Qiao, Tian-Zhang; Sun, Wei; Li, Wen-Tao; et al, Journal of the American Chemical Society, 2020, 142(39), 16894-16902

合成路线：1 步

100-52-7

75-07-0

_73%

90-63-1

反应条件：

1.1 Reagents: Dibenzyl , Diisopropylethylamine Catalysts: 1,2,4-Triazolo[4,3-a]pyridinium, 5,6,7,8-tetrahydro-2-(2,3,4,5,6-pentafluorophen… Solvents: Dichloromethane ; 1 h, rt → 70 °C
1.2 Reagents: Acetic acid

参考文献：

Chemoselective N-Heterocyclic Carbene-Catalyzed Cross-Benzoin Reactions: Importance of the Fused Ring in Triazolium Salts

Langdon, Steven M.; Wilde, Myron M. D.; Thai, Karen; Gravel, Michel, Journal of the American Chemical Society, 2014, 136(21), 7539-7542

合成路线：1 步