(S)-4-(ヒドロキシメチル)-2,2-ジメチルオキサゾリジン-3-カルボン酸 tert-ブチル

(S)-4-Hydroxymethyl-2,2-dimethyl-oxazolidine-3-carboxylic acid tert-butyl ester

HCID 11053463

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 108149-65-1
標準SMILES: CC(C)(C)OC(=O)N1[C@@H](CO)COC1(C)C
InChIKey: DWFOEHLGMZJBAA-QMMMGPOBSA-N
分子式: C11H21NO4
平均分子量: 231.29 g/mol
単同位体質量: 231.14705815

名称と識別子

優先名称: (S)-4-Hydroxymethyl-2,2-dimethyl-oxazolidine-3-carboxylic acid tert-butyl ester
IUPAC: tert-butyl (4S)-4-(hydroxymethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
現地名: (S)-4-(ヒドロキシメチル)-2,2-ジメチルオキサゾリジン-3-カルボン酸 tert-ブチル
英語名: (S)-4-Hydroxymethyl-2,2-dimethyl-oxazolidine-3-carboxylic acid tert-butyl ester
分子式: C11H21NO4
分子量: 231.29

名称と別名

(S)-4-HYDROXYMETHYL-2,2-DIMETHYL-OXAZOLIDINE-3-CARBOXYLIC ACID TERT-BUTYL ESTERRefChem:408047802-260-8108149-65-1(S)-tert-butyl 4-(hydroxymethyl)-2,2-dimethyloxazolidine-3-carboxylate(S)-1-Boc-2,2-Dimethyl-4-hydroxymethyl-oxazolidinetert-Butyl (4S)-4-(hydroxymethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylateMFCD11041410tert-butyl (S)-4-(hydroxymethyl)-2,2-dimethyloxazolidine-3-carboxylateSCHEMBL1526136AS-36335B5657

名称をさらに表示

(S)-4-(ヒドロキシメチル)-2,2-ジメチルオキサゾリジン-3-カルボン酸 tert-ブチル(S)-N-Boc-4-(hydroxymethyl)-2,2-dimethyloxazolidine(S)-3-Boc-4-(hydroxymethyl)-2,2-dimethyl-1,3-oxazolidine(S)-4-Hydroxymethyl-2,2-dimethyl-oxazolidine-3-carboxylic ac...(S)-3-(tert-Butoxycarbonyl)-4-(hydroxymethyl)-2,2-dimethyl-1,3-oxazolidine3-Oxazolidinecarboxylic acid, 4-(hydroxymethyl)-2,2-dimethyl-, 1,1-dimethylethyl ester, (4S)-

CS-0130855(S)-4-hydroxymethyl-2DTXSID40453495IEA14965(S)-tert-butyl4-(hydroxymethyl)-2,2-dimethyloxazolidine-3-carboxylateAKOS015909330SY026602EN300-651262

データベース識別子

CAS: 108149-65-1
PubChem CID: 11053463
DTXSID: DTXSID40453495
EC Number: 802-260-8
Nikkaji: J889.102H

物性

構造計算による物性

XLogP: 0.8
極性表面積: 59 Å²
水素結合供与体数: 1
水素結合受容体数: 4
回転可能結合数: 3
重原子数: 16
形式電荷: 0
複雑度: 270

物理化学的性質

融点: 36 °C · 36 °C
沸点: 314.1 · 314.1±27.0 °C(Predicted)
比重(密度): 1.075 · 1.075±0.06 g/cm3(Predicted)
貯蔵温度: 2 · 2-8°C
外見: powder to lump to clear liquid
酸解離定数(Pka): 14.54 · 14.54±0.10(Predicted)
色: White or Colorless to Light yellow

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 33.3% (1 of 3) of reports.

Warning

H315 (66.7%): 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 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.