(+)-Methyl lactate (HCID 637514)

概要

Methyl (R)-lactate is a methyl lactate that has R configuration. It is functionally related to a (R)-lactic acid. It is an enantiomer of a methyl (S)-lactate.

名称と識別子

優先名称: (+)-Methyl lactate
IUPAC: methyl (2R)-2-hydroxypropanoate
現地名: D-(+)-乳酸メチル
英語名: Methyl (R)-(+)-lactate
分子式: C4H8O3
分子量: 104.1

名称と別名

17392-83-5Methyl (R)-lactateD-methyl lactateD-Lactic acid methyl esterMethyl lactate, (+)-(+)-methyl lactateD-lactate methyl ester45MZ1T3TBVCHEBI:74611DTXSID201045071RefChem:157123DTXCID401526992

名称をさらに表示

D-(+)-乳酸メチル(R)-2-ヒドロキシプロパン酸メチル(R)-(+)-乳酸メチル(R)-2-ヒドロキシプロピオン酸メチル[R,(+)]-2-ヒドロキシプロパン酸メチル(2R)-2-ヒドロキシプロピオン酸メチルD-乳酸メチル[R,(+)]-2-ヒドロキシプロピオン酸メチル(R)-乳酸メチル(-)-D-乳酸メチルD-(+)-乳酸メチル(R)‐(+)‐乳酸メチル(-)-乳酸メチルメチル (2R)-2-ヒドロキシプロパノアートMethyl (R)-2-HydroxypropanoateMETHYL-(R)-LACTATEMethyl-D-lactate >=99.0%,Chiral gradeDLAMD- METHYL D-LACTATE

241-420-6Methyl (R)-(+)-lactate(R)-Methyl 2-hydroxypropanoatemethyl (2R)-2-hydroxypropanoatemethyl D-lactateMethyl D-(+)-Lactate(R)-methyl lactate(+)-Methyl D-lactate

データベース識別子

CAS: 17392-83-5
PubChem CID: 637514
DTXSID: DTXSID201045071
ChEBI: CHEBI:74611
UNII: 45MZ1T3TBV
EC Number: 241-420-6
Nikkaji: J208.669G

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: 7
形式電荷: 0
複雑度: 69.3

実験および物理化学的性質

SpringerMaterials PropertiesOptical coefficient

物理化学的性質

沸点: 144 · 144-145 °C(lit.)
比旋光度: 8.5 · 8.5 º (c=neat)
比重(密度): 1.09 g/mL · 1.09 g/mL at 25 °C(lit.)
屈折率: 20 · n20/D 1.413(lit.)
闪点: 121 °F · 121 °F
貯蔵温度: 2 · Inert atmosphere,2-8°C
溶解性: Chloroform, Ethyl Acetate (Slightly), Methanol (Slightly)
外見: 液体
酸解離定数(Pka): 13.07 · 13.07±0.20(Predicted)
色: 無色透明
水溶解度: 混和性、加水分解
Merck: 14 · 14,6094
InChI: 1S/C4H8O3/c1-3(5)4(6)7-2/h3,5H,1-2H3/t3-/m1/s1
InChIKey: LPEKGGXMPWTOCB-GSVOUGTGSA-N
SMILES: COC(=O)[C@@H](C)O
LogP: -0.719 · -0.719 (est)
CAS データベース: 17392 · 17392-83-5(CAS DataBase Reference)

化学的性質

化学的特性Colorless to light yellow liqui

安全と法規制

GHS分類

GHS Classification · 6 件

Warning

H226: Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264+P265, P271, P280, P303+P361+P353, P304+P340, P305+P351+P338, P319, P337+P317, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264+P265, P271, P280, P303+P361+P353, P304+P340, P305+P351+P338, P319, P337+P317, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

危険有害性情報

Regulatory InformationStatus: Active Update: 08-11-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/5610

Hazard Classes and Categories · 3 件

Flam. Liq. 3 (100%)

Flammable liquid - category 3

Flam. Liq. 3

安全データ

wgk: 1
ridadr: UN 3272 3/PG 3
hs_code: 29181100
risk_code: 10-36/37
化審法: (2)-1370
消防法: 危-4-2-III
hazard_code: Xi
safety_code: 16-24-24/25
hazard_class: 3
packing_group: III
Hazard Classifications: Eye Irrit. 2Flam. Liq. 3STOT SE 3
ストレージクラス: 3 - Flammable liquids

化学と産業

応用分野 · 3 件

用途光学活性物質の製造原料。

使用(+)-Methyl D-lactate can be used as a starting material in the asymmetric preparation of: Neomethymycin, a macrolide which contains 12-membered macrolactone that is used as a potent biological agent. PM-toxin A.It can also be used as a chiral pool along with D-(-)-tartaric acid in the stereoselective total synthesis of separacenes A and B via Trost-Rychnovsky alkyne rearrangement, Horner-Wadsworth-Emmons olefination as well as Corey-Bakshi-Shibata reaction.

一般的な説明This compound has benign qualities and is biodegradable, water miscible, and functions as a versatile solvent for CA membrane preparation. This is also used as an intermediate for the production of other chemicals, polymers, and derivatives. Thus this product has been enhanced for Safer solvents and auxiliaries.