Lactide, L- (HCID 107983)

概要

Lactide, L- is under investigation in clinical trial NCT05450471 (Effectiveness of Endonasal Polymeric Implant for Chronic Rhinosinusitis).

名称と識別子

優先名称: Lactide, L-
IUPAC: (3S,6S)-3,6-dimethyl-1,4-dioxane-2,5-dione
現地名: L-(-)-ラクチド
英語名: L-Lactide
分子式: C6H8O4
分子量: 144.13

名称と別名

L-Lactide4511-42-6L-(-)-LactideL,L-DilactideLactide, L-(-)-L-DilactidePurasorb LLL-Lactide(3S-cis)-3,6-Dimethyl-1,4-dioxane-2,5-dioneUNII-IJ13TO4NO1IJ13TO4NO1EINECS 224-832-0

名称をさらに表示

L-(-)-ラクチド(3S)-3α,6α-ジメチル-1,4-ジオキシン-2,5(3H,6H)-ジオン(3S,6S)-3,6-ジメチル-1,4-ジオキサン-2,5-ジオンL-ラクチドシクロ(L-Lac-L-Lac-)L-ジラクチド(3S)-3α,6α-ジメチル-1,4-ジオキサン-2,5-ジオンL,L-ラクチド3α,6α-ジメチル-1,4-ジオキシン-2,5(3H,6H)-ジオン(2S)-2β,5β-ジメチル-1,4-ジオキサン-3,6-ジオン[2S,5S,(-)]-2,5-ジメチル-1,4-ジオキサン-3,6-ジオン(2S,5S)-2,5-ジメチル-1,4-ジオキサン-3,6-ジオン(3S,cis)-(-)-ジラクチド(3S,6S)-3α,6α-ジメチル-1,4-ジオキサン-2,5-ジオン(-)-L-ラクチド(-)-L-ジラクチドL,L-ジラクチド(3S)-3α,6α-ジメチルテトラヒドロ-1,4-ジオキシン-2,5-ジオン3α,6α-ジメチル-1,4-ジオキサン-2,5-ジオン[3S,6S,(-)]-3α,6α-ジメチル-1,4-ジオキサン-2,5-ジオンLACTIDEL-LAL-(-)-DILACTIDE(3S)-CIS-3,6-DIMETHYL-1,4-DIOXANE-2,5-DIONEactide-(-)-L(3S,6S)

EC 224-832-01,4-Dioxane-2,5-dione, 3,6-dimethyl-, (3S-cis)-P-DIOXANE-2,5-DIONE, 3,6-DIMETHYL-, L-1,4-DIOXANE-2,5-DIONE, 3,6-DIMETHYL-, (3S,5S)-RefChem:7658224-832-0(3S,6S)-3,6-dimethyl-1,4-dioxane-2,5-dioneL-Dilactide

データベース識別子

CAS: 33135-50-1、4511-42-6
PubChem CID: 107983
DTXSID: DTXSID5049655
UNII: IJ13TO4NO1
EC Number: 224-832-0
Nikkaji: J150.826A

物性

構造計算による物性

XLogP: 0.6
極性表面積: 52.6 Å²
水素結合供与体数: 0
水素結合受容体数: 4
回転可能結合数: 0
重原子数: 10
形式電荷: 0
複雑度: 155

物理化学的性質

融点: 92 · 92-94 °C(lit.)
沸点: 255 °C · 255°C
比重(密度): 1.186 · 1.186±0.06 g/cm3(Predicted)
蒸気圧: 0.311 Pa · 0.311Pa at 25℃
屈折率: 1.4475 · 1.4475
貯蔵温度: 2 · 2-8°C
溶解性: クロロホルム、メタノールに可溶。ベンゼンにわずかに溶ける。
外見: 個体
色: ホワイトからオフホワイト
水溶解度: 16.7 g/L · 16.7g/L at 20℃
BRN: 82124 · 82124
安定性: 吸湿性
InChI: 1S/C6H8O4/c1-3-5(7)10-4(2)6(8)9-3/h3-4H,1-2H3/t3-,4-/m0/s1
InChIKey: JJTUDXZGHPGLLC-IMJSIDKUSA-N
SMILES: C[C@@H]1OC(=O)[C@H](C)OC1=O
LogP: 0.4 at · 0.4 at 25℃
CAS データベース: 4511 · 4511-42-6(CAS DataBase Reference)
EPAの化学物質情報: 1 · 1,4-Dioxane-2,5-dione, 3,6-dimethyl-, (3S,6S)- (4511-42-6)

化学的性質

化学的特性White crystal

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H314 (10.9%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P321, P337+P317, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 183 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 2 件

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Status: Active Update: 01-08-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/11212

Hazard Classes and CategoriesSkin Corr. 1B (10.9%)

安全データ

wgk: 3
tsca: TSCA listed
hs_code: 29322090
risk_code: 36/37/38-36
化審法: (5)-5295
hazard_code: Xi
safety_code: 26-37/39
Hazard Classifications: Eye Irrit. 2
ストレージクラス: 13 - Non Combustible Solids

化学と産業

用途と製造

General Manufacturing Information1,4-Dioxane-2,5-dione, 3,6-dimethyl-, (3S,6S)-: ACTIVE

応用分野

使用(3S)-cis-3,6-Dimethyl-1,4-dioxane-2,5-dione may be used in the synthesis of optically active terpyridine containing poly(L-lactide)s, polydisperse lactic acid oligomers, bicyclic and tricyclic lactide derivatives.

調製方法 · 1 件

純化方法This is the cyclic dilactone of lactic acid. The (±)-cis-racemate has been distilled with b 142o/8mm; the distillate which solidifies gives yellow needles on recrystallisation from EtOH with m 128o, from Et2O with m 129o, or CHCl3 with m 126o , 1720-1740 cm-1. It hydrolyses in cold max H2O. [Carothers et al. J Am Chem Soc 54 772 1932]. A trans-form (probably RS,SR) has been reported which crystallises from Et2O with m 42-43o [Hummel et al. Acta Cryst (Sect B) 38 1679 1982]. The R,R -(+)-lactide has b 150o/2mm and crystallises from Et2O with m 95o , or m 96.5 -97.5o (from CHCl3) or m 97.7o (from EtOAc) and [] D +297o (c 1.2, *C6H6). The S,S-(-)-lactide has b 150o/2.5mm and crystallises from EtOAc with m 98.7o, or m 95o (from CHCl3) or m 96.5-97.5o (from CCl4) and []D -297o (c 1.2, *C6H6). [Toniolo et al. J Org Chem 35 6 1970, Beilstein 19 H 154, 19 I 179, 19 II 176, 19 IV 1927, 19/5 V 10.]