97415-09-3 (D-(-)-扁桃酸苄酯,D-(-)-Mandelic Acid Benzyl Ester)

CAS号:
97415-09-3
中文名称:
D-(-)-扁桃酸苄酯
英文名称:
D-(-)-Mandelic Acid Benzyl Ester
分子式:
C15H14O3
分子量:
242.269864559174

D-(-)-扁桃酸苄酯(97415-09-3)名称与标识符

名称

中文别名:
D-(-)-扁桃酸苄酯;(R)-扁桃酸苄酯;Benzyl D-(-)-Mandelate D-(-)-扁桃酸苄酯;R-(-)-扁桃酸苄酯;R-扁桃酸苄酯;苯基 α-D-吡喃葡萄糖苷;扁桃酸苯甲酯;扁桃酸苯酯;瑞舒伐他汀钙中间体;D-扁桃酸苄酯;扁桃酸苄酯;
英文别名:
(R)-Benzyl 2-hydroxy-2-phenylacetate;Benzyl D-(-)-Mandelate;(R)-benzyl Mandelate;Benzyl (R)-(?)-mandelate;C15H14O3;D-(-)-Mandelic Acid Benzyl Ester;Benzyl D-mandelate;Benzyl (R)-(-)-mandelate;benzyl (2R)-2-hydroxy-2-phenylacetate;D-Mandelic Acid Benzyl Ester;(-)-Mandelic acid benzyl ester;JFKWZVQEMSKSBU-CQSZACIVSA-N;HMS3650E03;(R)-Hydroxyphenylacetic acid benzyl ester;AB0031301;M1354;X4324;ST24026442;HYDROXY-PHENYL-ACETIC ACID BENZYL ESTER;Benzeneacetic acid, α-hydroxy-, phenylmethyl ester, (R)- (ZCI);(R)-Benzyl2-hydroxy-2-phenylacetate;D;Benzyl (2R)-hydroxy(phenyl)acetate;Benzyl (R)-(-)-mandelate, 99%;DTXSID50357490;Benzeneacetic acid,a-hydroxy-,phenylmethyl ester,(ar)-;SR-01000946772-1;SR-01000946772;MFCD00674031;SCHEMBL2231648;F16500;97415-09-3;AKOS005256826;

标识符

MDL:
MFCD00674031
InChIKey:
JFKWZVQEMSKSBU-CQSZACIVSA-N
Inchi:
1S/C15H14O3/c16-14(13-9-5-2-6-10-13)15(17)18-11-12-7-3-1-4-8-12/h1-10,14,16H,11H2/t14-/m1/s1
SMILES:
[C@H](C1C=CC=CC=1)(O)C(=O)OCC1C=CC=CC=1

D-(-)-扁桃酸苄酯(97415-09-3)物化性质

实验特性

  • LogP : 2.46340
  • PSA : 46.53000
  • 折射率 : -34 ° (C=1, CH3CN)
  • 沸点 : 387 ºC
  • 熔点 : 104-107 °C (lit.)
  • 闪点 : 163 ºC
  • 颜色与性状 : Powder
  • 溶解性 : 未确定
  • 比旋光度 : -55 ° (c=1, CHCl3)
  • 光学活性 : [α]25/D −55°, c = 1 in chloroform
  • 密度 : 1.204

计算特性

  • 精确分子量 : 242.094
  • 氢键供体数量 : 1
  • 氢键受体数量 : 3
  • 可旋转化学键数量 : 5
  • 同位素质量 : 242.094
  • 重原子数量 : 18
  • 复杂度 : 253
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 1
  • 不确定原子立构中心数量 : 0
  • 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) : 2.7
  • 互变异构体数量 : 无
  • 表面电荷 : 0
  • 拓扑分子极性表面积 : 46.5

D-(-)-扁桃酸苄酯(97415-09-3)海关数据

海关编码:
29181990

D-(-)-扁桃酸苄酯(97415-09-3)推荐厂家 更多厂家(46)

公司名称手机号/电话联系人QQ微信询单
天门恒昌化工有限公司 15102714773
027-59322316
雷经理 1178380033
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北京百灵威科技有限公司 18210857532翟先生 3650742139
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湖北方德新材料有限公司 18086096695邱经理 1462312301
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湖北诺纳科技有限公司 18995657604
027-59209883
吴经理 2933307129
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湖北永阔科技有限公司 18064098002
027-59223108
孙瑶 1248580055
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上海瀚思化工有限公司 18939883912
021-34536277
顾经理 3003949364
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上海绩祥生物科技有限公司 13093077543陆经理 3985448220
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赫澎(上海)生物科技有限公司 13122891558
186-16545970
张硕 3418426269
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铼博(上海)生化科技有限公司 13311756052
021-60536361 13311756052 13311756131
张经理 2851717387
询单
上海一基实业有限公司 13311756131
021-60548336 QQ:2355265332 QQ:2851717387
胡经理 2355265332
询单

D-(-)-扁桃酸苄酯(97415-09-3)合成路线

合成路线:1 步
反应条件:
参考文献:
Transesterification catalyzed by iron(III) β-diketonate species
Weng, Shiue-Shien; Ke, Chih-Shueh; Chen, Fong-Kuang; Lyu, You-Fu; Lin, Guan-Ying, Tetrahedron, 2011, 67(9), 1640-1648
合成路线:1 步
反应条件:
参考文献:
In situ generated "lanthanum(III) nitrate alkoxide" as a highly active and nearly neutral transesterification catalyst
Hatano, Manabu; Kamiya, Sho; Ishihara, Kazuaki, Chemical Communications (Cambridge, 2012, 48(76), 9465-9467
合成路线:1 步
反应条件:
参考文献:
Preparation of arylacetic acid monoesters as intermediates for prostaglandins and other natural products
, European Patent Organization, , ,
合成路线:1 步
反应条件:
参考文献:
Preparation of amino acid derivatives for use as thrombin inhibitors
, United States, , ,
合成路线:1 步
反应条件:
参考文献:
Preparation of optically active condensation products of optically active aromatic hydroxycarboxylic acids
, Japan, , ,
合成路线:1 步
反应条件:
参考文献:
Expanding the utility of proteases in synthesis: broadening the substrate acceptance in non-coded amide bond formation using chemically modified mutants of subtilisin
Khumtaveeporn, K.; Ullmann, A.; Matsumoto, K.; Davis, B. G.; Jones, J. B., Tetrahedron: Asymmetry, 2001, 12(2), 249-261
合成路线:1 步
反应条件:
参考文献:
An improved process for preparing optically active phosphate esters as intermediate for HMG-CoA reductase inhibitors
, India, , ,
合成路线:1 步
参考文献:
Preparation of amino acid derivatives as thrombin inhibitors
, World Intellectual Property Organization, , ,
合成路线:1 步
参考文献:
Optically active polyamides having an (-)-anti head-to-head coumarin dimer component. 3. Chiral recognition ability
Chen, Yun; Saigo, Kazuhiko; Yonezawa, Noriyuki; Tachibana, Kouzou; Hasegawa, Masaki, Bulletin of the Chemical Society of Japan, 1987, 60(9), 3341-5
合成路线:1 步
反应条件:
参考文献:
Asymmetric Aerobic Oxidation of α-Hydroxy Acid Derivatives Catalyzed by Reusable, Polystyrene-Supported Chiral N-Salicylidene Oxidovanadium tert-Leucinates
Salunke, Santosh B.; Babu, N. Seshu; Chen, Chien-Tien, Advanced Synthesis & Catalysis, 2011, 353(8), 1234-1240
合成路线:1 步
反应条件:
参考文献:
Kinetic Resolution of Racemic Mandelic Acid Esters by N,N'-Dioxide-Scandium-Complex-Catalyzed Enantiomer-Selective Acylation
Zhang, Yuheng; Liu, Xiaohua; Zhou, Lin; Wu, Wangbin; Huang, Tianyu; et al, Chemistry - A European Journal, 2014, 20(48), 15884-15890
合成路线:1 步
反应条件:
参考文献:
Asymmetric Aerobic Oxidation of α-Hydroxy Acid Derivatives by C4-Symmetric, Vanadate-Centered, Tetrakisvanadyl(V) Clusters Derived from N-Salicylidene-α-aminocarboxylates
Chen, Chien-Tien; Bettigeri, Sampada; Weng, Shiue-Shien; Pawar, Vijay D.; Lin, Ya-Hui; et al, Journal of Organic Chemistry, 2007, 72(22), 8175-8185
合成路线:1 步
反应条件:
参考文献:
Chiral N-salicylidene vanadyl carboxylate-catalyzed enantioselective aerobic oxidation of α-hydroxy esters and amides
Weng, Shiue-Shien; Shen, Mei-Wen; Kao, Jun-Qi; Munot, Yogesh S.; Chen, Chien-Tien, Proceedings of the National Academy of Sciences of the United States of America, 2006, 103(10), 3522-3527
合成路线:1 步
反应条件:
参考文献:
Polymer and silica supported tridentate Schiff base vanadium catalysts for the asymmetric oxidation of ethyl mandelate - activity, stability and recyclability
Shiels, Rebecca A.; Venkatasubbaiah, Krishnan; Jones, Christopher W., Advanced Synthesis & Catalysis, 2008, 350(17), 2823-2834

D-(-)-扁桃酸苄酯(97415-09-3)参考资料

Reaxys RN:
4784642
Beilstein:
10(4)573
PubChem CID: