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(S)-(+)-扁桃酸

15篇引用文献 COA COA
    级别和纯度:
  • ≥99%
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货号 (SKU) 包装规格 是否现货 价格 数量
M111210-25g
 25g 现货 Stock Image
M111210-100g
 100g 现货 Stock Image
M111210-500g
 500g 现货 Stock Image
M111210-2.5kg
 2.5kg 现货 Stock Image
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不对称合成 (592) 羧酸 (2181)
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基本描述

别名 L-(+)-扁桃酸 | (S)-α-羟基苯乙酸
英文别名 Benzeneacetic acid, alpha-hydroxy-, (alphaS)- | L-(+)-Mandelic acid, purum, >=98.0% (T) | (+)-.ALPHA.-HYDROXYPHENYLACETIC ACID | AC-2496 | alpha-hydroxybenzeneacetate | S-(+)-Mandelic acid | (S)-A-HYDROXYPHENYLACETIC ACID | MLS-0090889.0001 | (S)--(+)--ma
规格或纯度 ≥99%
英文名称 (S)-(+)-Mandelic acid
应用 (S)-(+)-Mandelic acid can be used as a starting material to synthesize (S)-cyclohexenyl phenyl glycoxilic acid, an optically active tertiary α-hydroxy acid component of (S)-oxybutynin. It is a versatile reagent used in the resolution of racemates and the preparation of amides.
运输条件 常规运输
产品介绍

水中溶解度：100g/L(25℃)。溶于醇和醚。 ee : >98.0%(LC) (S)-(+)-Mandelic acid can be used as a starting material to synthesize (S)-cyclohexenyl phenyl glycoxilic acid, an optically active tertiary α-hydroxy acid component of (S)-oxybutynin. It is a versatile reagent used in the resolution of racemates and the preparation of amides.
纯度 ≥99%

关联靶点（人）

PTPN7 Tchem Protein-tyrosine phosphatase LC-PTP (886 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
GAPDH Tchem Glyceraldehyde-3-phosphate dehydrogenase liver (1284 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
XIAP Tchem Inhibitor of apoptosis protein 3 (3673 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
SMAD3 Tchem Mothers against decapentaplegic homolog 3 (68039 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
IDH1 Tclin Isocitrate dehydrogenase [NADP] cytoplasmic (40980 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID

关联靶点（其它种属）

ampC Beta-lactamase AmpC (62480 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Ptpn1 Protein-tyrosine phosphatase 1B (270 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
mdlA Mandelate racemase (27 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Dusp6 Dual specificity protein phosphatase 6 (459 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID

作用机制

作用机制 Action Type target ID Target Name Target Type Target Organism Binding Site Name 参考文献

名称和识别符

PubChem SID 504758715
EC号 241-240-8
分子类型 小分子
IIUPAC Name (2S)-2-hydroxy-2-phenylacetic acid
INCHI 1S/C8H8O3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7,9H,(H,10,11)/t7-/m0/s1
InChi Key IWYDHOAUDWTVEP-ZETCQYMHSA-N
Smiles C1=CC=C(C=C1)C(C(=O)O)O
Isomeric SMILES C1=CC=C(C=C1)[C@@H](C(=O)O)O
分子量 152.15
Beilstein号 2208678
Reaxy-Rn 510011
Reaxys-RN link address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=510011&ln=

化学和物理性质

溶解性 Solubility in Methanol almost transparency
密度 1.321
敏感性 对光敏感
比旋光度 +150.0 to +157.0 deg(C=1, H2O)
闪点(℉) 374.0 °F
闪点(℃) > 190 °C
熔点 130-135°C
分子量 152.150 g/mol
XLogP3 0.600
氢键供体数Hydrogen Bond Donor Count 2
氢键受体数Hydrogen Bond Acceptor Count 3
可旋转键计数Rotatable Bond Count 2
精确质量Exact Mass 152.047 Da
单同位素质量Monoisotopic Mass 152.047 Da
拓扑极表面积Topological Polar Surface Area 57.500 Ų
重原子数Heavy Atom Count 11
形式电荷Formal Charge 0
复杂度Complexity 138.000
同位素原子数Isotope Atom Count 0
定义的原子立体中心计数Defined Atom Stereocenter Count 1
未定义的原子立体中心计数Undefined Atom Stereocenter Count 0
定义的键立体中心计数Defined Bond Stereocenter Count 0
未定义的键立体中心计数Undefined Bond Stereocenter Count 0
所有立体化学键的总数The total count of all stereochemical bonds 0
共价键合单元计数Covalently-Bonded Unit Count 1

安全和危险性（GHS）

象形图 GHS05,   GHS07
信号词 危险
危险声明

H302: 吞食有害

H315: 引起皮肤刺激

H318: 造成严重的眼睛损伤

H335: 可能引起呼吸道刺激
预防措施声明

P261: 避免吸入灰尘/烟雾/气体/雾/蒸汽/喷雾

P264: 处理后要彻底洗手。

P270: 使用本产品时，请勿进食、饮水或吸烟。

P271: 仅在室外或通风良好的地方使用。

P280: 戴防护手套/穿防护服/戴防护眼罩/戴防护面具。

P321: 特殊处理（请参阅此标签上的...）。

P330: 漱口

P302+P352: 如皮肤沾染：用水充分清洗。

P304+P340: 如误吸入：将人转移到空气新鲜处，保持呼吸舒适体位。

P362+P364: 脱掉沾污的衣服，清洗后方可重新使用。

P405: 密闭存放

P403+P233: 存放在通风良好的地方。保持容器密闭。

P501: 将内容物/容器处理到。。。

P264+P265: 处理后彻底洗手[和…]。不要触摸眼睛。

P301+P317: 如果被吞咽：请寻求医疗帮助。

P305+P354+P338: 如果进入眼睛：立即用水冲洗几分钟。取下隐形眼镜（如果有的话），并且操作简单。继续冲洗。

P317: 寻求紧急医疗救助。

P332+P317: 如果出现皮肤刺激：请寻求医疗帮助。

P319: 如果你感到不适，请寻求医疗帮助。
WGK Germany 3
个人防护装备 Eyeshields,Gloves,type N95 (US),type P1 (EN143) respirator filter

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找到16个结果

批号(Lot Number) 证书类型 货号
G2122158 分析证书 M111210
G2122159 分析证书 M111210
G2122160 分析证书 M111210
H2402276 分析证书 M111210
G2429129 分析证书 M111210
H2401470 分析证书 M111210
G2514238 分析证书 M111210
G2514239 分析证书 M111210
L2327173 分析证书 M111210
L2327171 分析证书 M111210
L2327172 分析证书 M111210
J2520189 分析证书 M111210
F2208375 分析证书 M111210
F2208377 分析证书 M111210
F2208378 分析证书 M111210
F2208379 分析证书 M111210

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引用文献

1. Mara Reifenrath,Maren Bauer,Mislav Oreb,Eckhard Boles.  (2018-10-30)  Bacterial bifunctional chorismate mutase-prephenate dehydratase PheA increases flux into the yeast phenylalanine pathway and improves mandelic acid production..  Metabolic engineering communications,  7  (e00079-e00079).  [PMID:30370221]
2. Li Yuchen, Xu Guangfu, Chen Jiaquan, Yu Tao, Miao Pandeng, Du Yingxiang.  (2023)  One-step synthesis of chiral molecularly imprinted polymer TiO2 nanoparticles for enantioseparation of phenylalanine in coated capillary electrochromatography.  MICROCHIMICA ACTA,  190  (7): (1-11).  [PMID:37391671] [10.1007/s00604-023-05854-4]
3. Niu Xiaohui, Zhao Rui, Yan Simeng, Li Hongxia, Yang Jing, Cao Kunjie, Liu Xiaoyu, Wang Kunjie.  (2023)  Chiral MOFs encapsulated by polymers with poly-metallic coordination as chiral biosensors.  MICROCHIMICA ACTA,  190  (6): (1-12).  [PMID:37208529] [10.1007/s00604-023-05807-x]
4. Liu Nijuan, Liu Jingjing, Niu Xiaohui, Wang Jia, Guo Ruibin, Mo Zunli.  (2021)  An electrochemical chiral sensor based on the synergy of chiral ionic liquid and 3D-NGMWCNT for tryptophan enantioselective recognition.  MICROCHIMICA ACTA,  188  (5): (1-13).  [PMID:33839948] [10.1007/s00604-021-04818-w]
5. Jia Wang, Zunli Mo, Nijuan Liu, Ruibin Guo, Chao Shuai, Fang Chen, Yongxin Du, Jingjing Liu, Guigui Liu, Qibing Dong, Qinqin Gao, Ying Chen, Wentong Liu.  (2021)  Construction of electrochemical chiral interface of C3N4/Ppy/ self-assembled polysaccharide.  JOURNAL OF ELECTROANALYTICAL CHEMISTRY,  886  (115118).  [10.1016/j.jelechem.2021.115118]
6. Xiaofei Ma, Yingxiang Du, Xinqi Zhu, Jiangxia Yang.  (2020)  Visual chiral recognition of aromatic amino acids with (S)-mandelic acid-based ionic liquids via complexation.  TALANTA,  217  (121083).  [PMID:32498868] [10.1016/j.talanta.2020.121083]
7. Jianjian Zhao, Yaqing Liu, Aiyou Hao, Pengyao Xing.  (2020)  High-Throughput Synthesis of Chiroptical Nanostructures from Synergistic Hydrogen-Bonded Coassemblies.  ACS Nano,  14  (2): (2522–2532).  [PMID:32040311] [10.1021/acsnano.0c00352]
8. Zi-Meng Wang, Cheng-Xiong Yang, Xiu-Ping Yan.  (2019)  Polysiloxane assisted fabrication of chiral crystal sponge coated capillary column for chiral gas chromatographic separation.  JOURNAL OF CHROMATOGRAPHY A,  1608  (460420).  [PMID:31405571] [10.1016/j.chroma.2019.460420]
9. Cun-Duo Tang, Peng-Ju Ding, Hong-Ling Shi, Yuan-yuan Jia, Mao-zhi Zhou, Hui-lei Yu, Jian-He Xu, Lun-Guang Yao, Yun-Chao Kan.  (2019)  One-Pot Synthesis of Phenylglyoxylic Acid from Racemic Mandelic Acids via Cascade Biocatalysis.  JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY,  67  (10): (2946–2953).  [PMID:30807132] [10.1021/acs.jafc.8b07295]
10. Datong Wu, Wensheng Tan, Yin Yu, Baozhu Yang, Hongda Li, Yong Kong.  (2018)  A facile avenue to prepare chiral graphene sheets as electrode modification for electrochemical enantiorecognition.  ANALYTICA CHIMICA ACTA,  1033  (58).  [PMID:30172332] [10.1016/j.aca.2018.06.029]
11. Cun-Duo Tang, Hong-Ling Shi, Jian-He Xu, Zhu-Jin Jiao, Fei Liu, Peng-Ju Ding, Hong-Fei Shi, Lun-Guang Yao, Yun-Chao Kan.  (2018)  Biosynthesis of Phenylglyoxylic Acid by LhDMDH, a Novel d-Mandelate Dehydrogenase with High Catalytic Activity.  JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY,  66  (11): (2805–2811).  [PMID:29460618] [10.1021/acs.jafc.7b05835]
12. Zhang Yanjie, Du Shuaijing, Feng Zijie, Du Yingxiang, Yan Zhi.  (2016)  Evaluation of synergistic enantioseparation systems with chiral spirocyclic ionic liquids as additives by capillary electrophoresis.  ANALYTICAL AND BIOANALYTICAL CHEMISTRY,  408  (10): (2543-2555).  [PMID:26894758] [10.1007/s00216-016-9356-8]
13. Zhou Long, Jia Jia, Shanling Wang, Lu Kou, Xiandeng Hou, Michael J. Sepaniak.  (2013)  Visual enantioselective probe based on metal organic framework incorporating quantum dots.  MICROCHEMICAL JOURNAL,  110  (764).  [10.1016/j.microc.2013.08.013]
14. Fangqin Wang, Wenrong Cai, Lilan Tan, Junyao Li, Datong Wu, Yong Kong.  (2024)  A Liquid–Liquid Interfacial Strategy for Construction of Electroactive Chiral Covalent–Organic Frameworks with the Aim to Enlarge the Testing Scope of Chiral Electroanalysis.  ANALYTICAL CHEMISTRY,  96  (7): (3200-3207).  [PMID:38335728] [10.1021/acs.analchem.3c05744]
15. Hongmin Zhang, Xiaotong Yang, Xiaona Cui, Hejie Wang, Aixin Song, Xiao Chen, Hong-Guo Liu.  (2024)  Assembly of large-area helical nanowire and nanosphere superstructures by PS-b-P2VP/S-mandelic acid via interfacial nanoarchitectonics.  JOURNAL OF MOLECULAR LIQUIDS,  404  (125020).  [10.1016/j.molliq.2024.125020]
16. Mengyun Lu, Xinwen Jia, Wenjing Zhang, Wuduo Zhao, Ajuan Yu, Gangfeng Ouyang.  (2024)  Enhanced Enantioselective Sensing of 1,1′-Bi-2-naphthol and Mandelic Acid by Proportional Fluorescence Sensor 3DOM Zn-MOF-74-l-Trp with Hierarchical Macro–Micropore Structure.  INORGANIC CHEMISTRY,  63  (51): (24374-24381).  [PMID:39661170] [10.1021/acs.inorgchem.4c04464]

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