CAS: 427-49-6; Alpha-Cyclopentylmandelic Acid

该化合物是一种具有环戊基和苯基替代成分的手性α-羟基酸,具有独特的消毒和电子特性,该化合物对合成有机化学具有兴趣,特别是因其作为手性辅助或中间体的潜力而成为制药和精细化学的一个构件.由于存在氢氧基和碳箱基功能组,因此可以进行多种用途的衍生,使非对称合成和药用化学的应用成为可能.其结构僵硬性可能会增强催化反应或电离子设计中的选择性.产品的特点通常是高度纯性和稳定性,适合严格的研究和开发过程.

英文名称Alpha-Cyclopentylmandelic Acid
中文名称2-环戊基-2-羟基苯乙酸
IUPAC名称2-cyclopentyl-2-hydroxy-2-phenylacetic acid
其它别名Cyclopentyl-Hydroxy-Phenyl-Acetic Acid; Cyclopentylhydroxy-Phenylacetic Acid; Cyclopentylmandelic Acid; Cyclopentyl-Mandelic Acid; Phenylcyclopentylglycolic Acid; .Alpha.-Cyclopentylma
CAS编号427-49-6
MFCD编号:MFCD00019296
EINECS号:207-047-8
FDA UNII编号:XY6HY5ZM28
分子式:C13H16O3
分子量:220.27
产品CID: 1439656
产品分类化学试剂 → 有机试剂 → 脂肪酸

相似结构搜索
InChIKey: WFLUEQCOAQCQLP-UHFFFAOYNA-N
InChI=1/C13H16O3/c14-12(15)13(16,11-8-4-5-9-11)10-6-2-1-3-7-10/h1-3,6-7,11,16H,4-5,8-9H2,(H,14,15)…
计算化学: 氢键受体数3.0氢键供体数2.0可旋转键数3.0

物理性质

熔点144-150 °C
沸点395.6±22.0 °C at 760 mmHg
闪点207.2±18.8 °C
密度1.2±0.1 g/cm3
pKa:3.53±0.25(预测)
PSA:57.53
LogP:2.77
折射率1.590
蒸汽压0.0±1.0 mmHg at 25°C
溶解性Chloroform (Slightly), Methanol (Slightly)
外观形态白色至浅棕色固体
储存条件密封, 常温干燥保存
产品应用该化合物用于合成肌肉M3受体敌者.

MSDS等安全信息

GHS象形图
GHS符号GHS07;
注释: Exclamation mark
危险类别特定目标器官毒性 - 单次接触类别3
皮肤腐蚀/刺激类别2
严重眼刺激类别2
严重眼损伤类别1
皮肤腐蚀类别1B
警示词Warning(警告)
危险描述H335 |可能引起呼吸道刺激.
H315 |造成皮肤刺激.
H319 |造成严重眼刺激.
H318 |造成严重眼损伤.
H314 |造成严重皮肤灼伤和眼损伤.
防范说明P280-P305+P351+P338+P310
危险等级IRRITANT
UN编号3261
危险品标志C,Xi
包装等级III
安全声明45-36/37/39-26-39
危险类别码34-41-37/38
WGK Germany3

欧盟法规

REACH注册ECHA物质C&L通报REACH预注册

上下游产品

合成工艺路线路线简述

合成目标产物 Alpha-Cyclopentylmandelic Acid 主要起始原料 Benzoylformic Acid And Cyclopentylmagnesium Bromide
(文献来源)合成步骤主要原料 Benzoylformic Acid 和 Cyclopentylmagnesium Bromide

2-环戊基-2-羟基-2-苯基乙酸乙酯以53的收率获得产物2-环戊基-2-羟基苯乙酸
参考文献:苯环壬酯光学异构体及其用于制备药物的用途
标题:苯环壬酯光学异构体及其用于制备药物的用途
摘要:本发明涉及光学纯的左旋苯环壬酯异构体或其药学上可接受的盐,其制备方法以及用于制备预防和治疗晕车,晕船等运动病/美尼尔氏病发作等引起的各种眩晕症的药物的用途.所述左旋苯环壬酯异构体或其盐还可以用于治疗或缓解帕金森病或帕金森氏综合征,并能够减轻或避免苯环壬酯消旋体的副作用.

海关参考信息

2902600000-乙苯
2902700000-异丙基苯
2905122000-异丙醇
2905310000-1,2-乙二醇
💡 提示：海关信息按照顺序优先匹配，如需确认的海关信息，请参考相关资料。
详情请参考：📖 海关编码查询和海关进出口税则

专利信息

专利号:US-2023312617-A1
优先权日:2020-07-25
标题 :Process for synthesis of organosilicon compounds from halosilanes
发明人：DOLAI SUKANTA; BHAT SHREEDHAR; TARAFDAR GOURAV
权利人:MOMENTIVE PERFORMANCE MAT INC
摘要:A process for synthesis of an organosilicon compound is provided herein. Also, novel organosilicon compounds prepared by the present process is provided herein. The process comprises the reaction of a halosilane with an organofunctional alkyl halide in the presence of a metal catalyst, a promoter, and an optional co-catalyst. The process provides an efficient synthetic route to produce organosilicon compounds. The process also allows synthesis of organosilicon compounds with a plurality of different functional groups.

专利号:US-3691198-A
优先权日:1970-12-21
标题 :Synthesis of 1-substituted-3-halopyrrolidines
发明人：BROWN BERNARD BEAN; RUOPP DONALD CARL
权利人:CPC INTERNATIONAL INC
摘要:A method of preparing 1-substituted-3-halopyrrolidines, particularly a method of preparing said pyrrolidines by reacting a 1-substituted- Delta 3-pyrroline with a concentrated hydrogen halide aqueous solution at a temperature greater than 100*C. In a preferred embodiment, a supersaturated hydrobromic acid solution is utilized, i.e., one containing about 60 percent hydrogen bromide. The 1-substituted- Delta 3-pyrroline reactant is preferably made by reaction of a cis-1,4-dihalobutene-2 with a primary amine whereupon cyclization takes place. Said 1substituted-3-halopyrrolidines are intermediates useful in making anti-cholinergics and like materials.

专利号:EP-4188934-A1
优先权日:2020-07-25
标题 :Process for synthesis of organosilicon compounds from halosilanes

专利号:CN-111433357-B
优先权日:2018-02-12
标题:Alcohol dehydrogenase mutant and application thereof in synthesis of diaryl chiral alcohol

专利号:CN-111051503-B
优先权日:2018-02-12
标题:Alcohol dehydrogenase mutants and their application in the synthesis of biaryl chiral alcohols

专利号:CN-111094557-B
优先权日:2018-02-12
标题:Alcohol dehydrogenase mutants and their application in the synthesis of biaryl chiral alcohols