(1R,3S)-(+)-顺式-4-环戊烯-1,3-二醇 1-乙酸酯

rac-(1R,4S)-4-hydroxycyclopent-2-en-1-yl acetate

HCID 10154103CAS 60410-16-4

子结构检索查找相似结构

基本信息

标准SMILES: CC(=O)O[C@H]1C=C[C@@H](O)C1
InChIKey: IJDYOKVVRXZCFD-RQJHMYQMSA-N
分子式: C7H10O3
平均分子量: 142.15 g/mol
单同位素质量: 142.06299418

名称与标识

首选名称: rac-(1R,4S)-4-hydroxycyclopent-2-en-1-yl acetate
IUPAC: [(1R,4S)-4-hydroxycyclopent-2-en-1-yl] acetate
中文名: (1R,3S)-(+)-顺式-4-环戊烯-1,3-二醇 1-乙酸酯
英文名: (1R,3S)-4-Cyclopentene-1,3-diol 1-acetate
分子式: C7H10O3
分子量: 142.15

名称与别名

rac-(1R,4S)-4-hydroxycyclopent-2-en-1-yl acetateRefChem:8731504-Cyclopentene-1,3-diol, 1-acetate, (1R,3S)-875-433-960410-16-4(1S,4R)-cis-4-Acetoxy-2-cyclopenten-1-ol(1R,4S)-4-hydroxycyclopent-2-en-1-yl acetate(1S,4R)-4-Acetoxy-2-cyclopenten-1-ol(1R,4S)-4-hydroxycyclopent-2-enyl acetaterel-(1R,4S)-4-Hydroxycyclopent-2-en-1-yl acetateMFCD00078933[(1R,4S)-4-hydroxycyclopent-2-en-1-yl] acetate

展开更多名称

4-羟基环戊基-2-烯-1-基乙酸酯(1R,4S)-4-羟基-2-环戊烯-1-基乙酸酯(1R,4S)-顺式-4-羟基-2-环戊烯基乙酸酯(1R,4S)-4-羟基环戊-2-烯-1-基乙酸酯(1S,4R)-顺-4-乙酰氧基-2-环戊烯-1-醇(1R,3S)-4-环戊烯-1,3-二醇 1-乙酸酯(1R,4S)-4-羟基环戊二烯-2-烯-1-基醋酸盐(1S,4R)-顺式-4-乙酰氧基-2-环戊烯-1-醇(1R,3S)-(+)-顺式-4-环戊烯-1,3-二醇 1-乙酸酯(1S-cis)-4-Acetoxy-2-cyclopenten-1-ol4-HYDROXYCYCLOPENT-2-EN-1-YL ACETATEcis-4-Cyclopentene-1,3-diol 1-acetateCIS-4-HYDROXYCYCLOPENT-2-ENYL ACETATE(1R,4S)-4-hydroxycyclopent-2-enylacetate(1R,3S)-4-Cyclopentene-1,3-diol 1-acetate

60410-18-6(1R,3S)-(+)-4-CYCLOPENTENE-1,3-DIOL 1-ACETATE(1R,3S)-(+)-cis-4-Cyclopentene-1,3-diol 1-acetateCS-0053603(1S,4R)-cis 4-Acetoxy-2-cyclopenten-1-ol(1R,4S)-4-hydroxy-2-cyclopenten-1-yl acetate[(1R,4S)-4-hydroxy-1-cyclopent-2-enyl] acetate(+)-(1R-cis)-4-Cyclopentene-1,3-diol monoacetate

数据库标识

CAS: 60410-16-4、60410-18-6
PubChem CID: 10154103
DTXSID: DTXSID00436209
EC Number: 875-433-9
Nikkaji: J679.175A

性质

结构计算性质

XLogP: 0.1
极性表面积: 46.5 Å²
氢键供体: 1
氢键受体: 3
可旋转键: 2
重原子: 10
形式电荷: 0
复杂度: 162

物理化学性质

熔点: 49 · 49-52 °C
沸点: 208 · 208.0±40.0 °C(Predicted)
密度: 1.17 · 1.17±0.1 g/cm3(Predicted)
储存条件: 2 · Sealed in dry,2-8°C
酸度系数(pKa): 14.11 · 14.11±0.40(Predicted)
形态: Low Melting Solid
颜色: Off-white to beige
旋光度 (Optical Rotation): 20 · [α]20/D +68°, c = 2.3 in chloroform
BRN: 4663992 · 4663992
InChI: InChI=1S/C7H10O3/c1-5(8)10-7-3-2-6(9)4-7/h2-3,6-7,9H,4H2,1H3/t6-,7+/m1/s1
InChIKey: IJDYOKVVRXZCFD-RQJHMYQMSA-N
SMILES: [C@H]1(OC(=O)C)C=C[C@@H](O)C1

安全与法规

GHS分类

GHS Classification · 5 条

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): 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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

危害信息

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

安全数据

F: 10
wgk: 3
危险等级: IRRITANT
存储类别: 11 - Combustible Solids
海关编码: 29162000

化学与工业

应用领域

用途合成碳环核苷和前列腺素的结构单元。

上下游产品信息

下游产品

(3AR,4S,6R,6AS)-6-氨基四氢-2,2-二甲基-4H-环戊烯并-1,3-二氧杂环戊烷-4-醇

试剂价格

39934 · 5g: (1R,3S)-(+)-4-环戊烯-1,3-二醇 1-乙酸酯(1R,3S)-(+)-4-Cyclopentene-1,3-diol 1-acetate, 99%, stabilized, Thermo Scientific Chemicals — 11684元
39934 · 1g: (1R,3S)-(+)-4-环戊烯-1,3-二醇 1-乙酸酯(1R,3S)-(+)-4-Cyclopentene-1,3-diol 1-acetate, 99%, stabilized, Thermo Scientific Chemicals — 3712元