(1S,4R)-CIS-4-アセトキシ-2-シクロペンテン-1-オール

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

HCID 10154103CAS 60410-16-4

部分構造検索類似構造を探す

基本情報

標準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
単同位体質量: 142.06299418

名称と識別子

優先名称: rac-(1R,4S)-4-hydroxycyclopent-2-en-1-yl acetate
IUPAC: [(1R,4S)-4-hydroxycyclopent-2-en-1-yl] acetate
現地名: (1S,4R)-CIS-4-アセトキシ-2-シクロペンテン-1-オール
英語名: (1R,3S)-4-Cyclopentene-1,3-diol 1-acetate
分子式: C7H10O3
分子量: 142.15

名称と別名

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

名称をさらに表示

(1S,4R)-CIS-4-アセトキシ-2-シクロペンテン-1-オール(1R,3S)-(+)-CIS-4-シクロペンテン-1,3-ジオール 1-アセタート(1Ｒ,3Ｓ)-(+)-4-シクロペンテン-1,3-ジオール1-アセタート(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

データベース識別子

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

物性

構造計算による物性

XLogP: 0.1
極性表面積: 46.5 Å²
水素結合供与体数: 1
水素結合受容体数: 3
回転可能結合数: 2
重原子数: 10
形式電荷: 0
複雑度: 162

物理化学的性質

融点: 49 · 49-52 °C
沸点: 208 · 208.0±40.0 °C(Predicted)
比重(密度): 1.17 · 1.17±0.1 g/cm3(Predicted)
貯蔵温度: 2 · Sealed in dry,2-8°C
外見: 低融点固体
酸解離定数(Pka): 14.11 · 14.11±0.40(Predicted)
色: オフホワイトからベージュ
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

化学的性質

化学的特性White to light yellow solid

安全と法規制

GHS分類

GHS Classification · 5 件

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.

危険有害性情報

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

安全データ

F: 10
wgk: 3
hs_code: 29162000
hazard_class: IRRITANT
ストレージクラス: 11 - Combustible Solids

化学と産業

応用分野

使用(1S,4R)-cis-4-Acetoxy-2-cyclopenten-1-ol can be used as:A building block for the synthesis of biologically significant carbocyclic nucleosides and prostaglandins.A starting material in the synthesis of azasugar analogs.