(R)-4-ベンジル-2-オキサゾリジノン

(R)-4-Benzyl-2-oxazolidinone

HCID 2734969CAS 102029-44-7

部分構造検索類似構造を探す

基本情報

標準SMILES: O=C1N[C@H](Cc2ccccc2)CO1
InChIKey: OJOFMLDBXPDXLQ-SECBINFHSA-N
分子式: C10H11NO2
平均分子量: 177.2 g/mol
単同位体質量: 177.07897859

概要

See also: (S)-4-Benzyl-2-oxazolidinone (annotation moved to).

名称と識別子

優先名称: (R)-4-Benzyl-2-oxazolidinone
IUPAC: (4R)-4-benzyl-1,3-oxazolidin-2-one
現地名: (R)-4-ベンジル-2-オキサゾリジノン
英語名: (R)-4-Benzyl-2-oxazolidinone
分子式: C10H11NO2
分子量: 177.2

名称と別名

(R)-4-Benzyl-2-oxazolidinone(R)-(+)-4-Benzyl-2-oxazolidinone2-Oxazolidinone, 4-(phenylmethyl)-, (4R)-DTXSID60370594RefChem:407325DTXCID20321628102029-44-7(r)-4-benzyloxazolidin-2-one(4R)-4-benzyl-1,3-oxazolidin-2-oneMFCD00010846(+)-4-benzyl-2-oxazolidinone(4r)-4-(phenylmethyl)-1,3-oxazolidin-2-one

名称をさらに表示

(R)-4-ベンジル-2-オキサゾリジノン(R)-ベンジルオキサゾリジノン(R)-(+)-4-ベンジル-2-オキサゾロン(R)‐4‐ベンジル‐2‐オキサゾリジノンR-4-ベンジル-2-オキサゾリジノンR-4-ベンジル-2-オキサゾリジノン, 99%(R)-(+)-4-ベンジル-2-オキサゾリジノン4α-ベンジル-2-オキサゾリジノン(4R)-4α-ベンジルオキサゾリジン-2-オン(4R)-4-ベンジルオキサゾリジン-2-オン(4R)-4,5-ジヒドロ-4-ベンジルオキサゾール-2(3H)-オン(4R)-4-ベンジル-1,3-オキサゾリジン-2-オン(R)-4-ベンジルオキサゾリジン-2-オン4α-ベンジルオキサゾリジン-2-オン(4R)-4-ベンジル-2-オキサゾリジノン(4R)-4α-ベンジル-2-オキサゾリジノン(R)-4-(PHENYLMETHYL)-2-OXAZOLIDINONER-BOZRBOX(4R)-4-BENZYLOXAZOLIDIN-2-ONE4-benzyl-2-0xazolidinone(4R)-Phenylmethyl-2-oxazolidinoneMLS00TB-2044

(r)-(-)-4-benzyl-2-oxazolidinone(4r)-4-(phenylmethyl)-2-oxazolidinone4-Benzyl-1,3-oxazolidin-2-one #(R)-4-benzyl-oxazolidin-2-oneNetarsudil Impurity 7r-4-benzyl-2-oxazolidinoneMLS0012428024(R)-benzyl-2-oxazolidinone

データベース識別子

CAS: 102029-44-7
PubChem CID: 2734969
DTXSID: DTXSID60370594
ChEMBL: CHEMBL1366601
UNII: CVS8468YG3
EC Number: 600-264-2
Nikkaji: J462.969H

物性

構造計算による物性

XLogP: 1.7
極性表面積: 38.3 Å²
水素結合供与体数: 1
水素結合受容体数: 2
回転可能結合数: 2
重原子数: 13
形式電荷: 0
複雑度: 187

物理化学的性質

融点: 88 · 88-90 °C
比旋光度: 62 · 62 º (C=1, CHCl3)
沸点: 309.12 °C · 309.12°C (rough estimate)
比重(密度): 1.1607 · 1.1607 (rough estimate)
屈折率: 14.5 ° · 14.5 ° (C=5, MeOH)
貯蔵温度: Inert atmosphere,Room Temperature
溶解性: クロロホルム（わずかに）
酸解離定数(Pka): 12.78 · 12.78±0.40(Predicted)
外見: 結晶性粉末
色: 白～ほぼ白
水溶解度: 水に不溶。クロロホルムに可溶。
BRN: 4782551 · 4782551
InChI: 1S/C10H11NO2/c12-10-11-9(7-13-10)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,11,12)/t9-/m1/s1
InChIKey: OJOFMLDBXPDXLQ-SECBINFHSA-N
SMILES: O=C1N[C@@H](CO1)Cc2ccccc2
CAS データベース: 102029 · 102029-44-7(CAS DataBase Reference)

化学的性質

化学的特性white to light yellow crystal powde

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (75%): Causes skin irritation [Warning Skin corrosion/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 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information(R)-(+)-4-Benzyl-2-oxazolidinone: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Irrit. 2 (75%)

安全データ

F: 3-10
wgk: 3
hs_code: 29349990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 22-24/25-36-26
ストレージクラス: 11 - Combustible Solids

化学と産業

応用分野 · 2 件

用途有機合成原料。

説明(R)-4-Benzyl-2-oxazolidinone is a derivative of oxazolidinone. It can be used in the preparation of enantiopure carbocyclic nucleosides, which act as a HIV protease inhibitor. It can also be used as a chiral auxiliary in the enantioselective synthesis of (2R, 2′S)-erythro-methylphenidate, beta-lactams and alpha-amino acids. Its end product includes asymmetric single isomeric drugs such as antitumor, anesthetic and entipasmodic products.