(R)-2-羟基-4-苯基丁酸乙酯

Ethyl (R)-2-hydroxy-4-phenylbutyrate

HCID 2733848CAS 90315-82-5
子结构检索查找相似结构

基本信息

标准SMILES
CCOC(=O)[C@H](O)CCc1ccccc1
InChIKey
ZJYKSSGYDPNKQS-LLVKDONJSA-N
分子式
C12H16O3
平均分子量
208.25 g/mol
单同位素质量
208.10994437

名称与标识

首选名称
Ethyl (R)-2-hydroxy-4-phenylbutyrate
IUPAC
ethyl (2R)-2-hydroxy-4-phenylbutanoate
中文名
(R)-2-羟基-4-苯基丁酸乙酯
英文名
Ethyl (R)-2-hydroxy-4-phenylbutyrate
分子式
C12H16O3
分子量
208.26

名称与别名

90315-82-5Ethyl (R)-2-Hydroxy-4-phenylbutyrateQP7IWH2QOXEthyl 2-hydroxy-4-phenylbutyrate, (2R)-(R)-HPBERefChem:593165618-525-4ethyl (2R)-2-hydroxy-4-phenylbutanoate(R)-ethyl 2-hydroxy-4-phenylbutanoateethyl (R)-2-hydroxy-4-phenylbutanoate(R)-2-Hydroxy-4-phenylbutyric Acid Ethyl EsterMFCD00077794
展开更多名称
苯那普利杂质22R-2-羟基苯基丁酸乙酯(R)-2-羟基苯丁酸乙酯-2-羟基-4-苯基丁酸乙酯R-2-羟基-4-苯基丁酸乙酯(R)-4-苯基-2-羟基丁酸乙(R)-2-羟基-4-苯基丁酸乙酯(R)-4-苯基-2-羟基丁酸乙酯乙基 (R)-2-羟基-4-苯基丁酸酯(R)-2-羟基-4-苯基丁酸乙酯(R)-2-HYDROXY-4-PHENYLBUTYRATERBZLEEthyl (R)-2-hydroxy-Benazepril Impurity 22Nitroxoline Impurity 13R-2-Hydroxy-4-butylphenyacetateEthyl 4-phenyl-2-hydroxybutanoateEthy(R)-2-hydroxy-4-phenybutyrateEthyl(R)-2-Hydroxyl-4-PhenylButyrate
Ethyl (R)-(-)-2-hydroxy-4-phenylbutyrateUNII-QP7IWH2QOXSCHEMBL614649DTXSID20370015EC 618-525-4(R)-(-)-2-Hydroxy-4-phenylbutyric acid ethyl estherCS-W015213ethyl (R)-2-hydrox

数据库标识

CAS
90315-82-5
PubChem CID
2733848
DTXSID
DTXSID20370015
ChEMBL
CHEMBL4630646
UNII
QP7IWH2QOX
EC Number
618-525-4
Nikkaji
J275.578E

性质

结构计算性质

XLogP
2.2
极性表面积
46.5 Ų
氢键供体
1
氢键受体
3
可旋转键
6
重原子
15

物理化学性质

熔点
NA
比旋光度
-10 · -10 º (c=neat)
沸点
212 °C · 212 °C(lit.)
密度
1.075 g/mL · 1.075 g/mL at 20 °C(lit.)
折射率
20 · n20/D 1.504(lit.)
闪点
230 °F · >230 °F

安全与法规

GHS分类

GHS Classification · 6 条

This chemical does not meet GHS hazard criteria for 80% (4 of 5) of all reports.

Warning

H315 (20%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (20%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (20%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 4 of 5 reports by companies.；There is 1 notification provided by 1 of 5 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

危害信息

Regulatory InformationStatus: Active Update: 09-02-2012 https://echa.europa.eu/registration-dossier/-/registered-dossier/6749
Hazard Classes and CategoriesSkin Irrit. 2 (20%)；Eye Irrit. 2 (20%)；STOT SE 3 (20%)

法规信息

Regulatory InformationStatus: Active Update: 09-02-2012 https://echa.europa.eu/registration-dossier/-/registered-dossier/6749

安全数据

wgk
3
存储类别
10 - Combustible liquids
安全说明
23-24/25
海关编码
29181990

化学与工业

应用领域

用途赖诺普利中间体、手性合成中间体。

用途用于制成ACE-inhibitors的中间体

上下游产品信息

试剂价格

H0904 · 5G
(R)-2-羟基-4-苯基丁酸乙酯Ethyl (R)-2-Hydroxy-4-phenylbutyrate — 190元
H61507 · 25g
乙基 (R)-2-羟基-4-苯基丁酸酯, 98%Ethyl (R)-2-hydroxy-4-phenylbutyrate, 98% — 4170元

供应商50 家

北京华美互利生物化工010-56205725 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

相关反应

8 条
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