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

HCID 11053464

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基本情報

CAS: 108149-63-9
標準SMILES: CC(C)(C)OC(=O)N1[C@H](CO)COC1(C)C
InChIKey: DWFOEHLGMZJBAA-MRVPVSSYSA-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: (R)-4-Hydroxymethyl-2,2-dimethyl-oxazolidine-3-carboxylic acid tert-butyl ester
IUPAC: tert-butyl (4R)-4-(hydroxymethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
英語名: (R)-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

(R)-4-Hydroxymethyl-2,2-dimethyl-oxazolidine-3-carboxylic acid tert-butyl ester1,1-Dimethylethyl (4R)-4-hydroxymethyl-2,2-dimethyloxazolidine-3-carboxylateRefChem:407330847-996-0108149-63-9(R)-tert-Butyl 4-(hydroxymethyl)-2,2-dimethyloxazolidine-3-carboxylateTert-butyl (4R)-4-(hydroxymethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate(R)-1-Boc-2,2-Dimethyl-4-hydroxymethyl-oxazolidine(R)-N-Boc-4-(hydroxymethyl)-2,2-dimethyloxazolidineMFCD06202686SCHEMBL1067807DTXSID00453496

名称をさらに表示

tert-butyl (R)-4-(hydroxymethyl)-2,2-dimethyloxazolidine-3-carboxylate(R)-3-Boc-2,2-Dimethyl-4-hydroxymethyloxazolidine(R)-n-boc-2,2-dimethyl-4-hydroxymethyloxaz olidineN-[(1,1-DiMethylethoxy)carbonyl]-N,O-isopropylidene-L-serinol(R)-4-HYDROXYMETHYL-2,2-DIMETHYL-OXAZOLIDINE-3-CARBOXYLIC AC...R)-3-tert-Butyloxycarbonyl-2,2-dimethyl-4-hydroxymethyloxazolidine1,1-Dimethylethyl-(R)-4-hydroxymethyl-2,2-dimethyl-3-oxazolidinecarboxylate

(R)-1-Boc-2,2-DDWFOEHLGMZJBAA-MRVPVSSYSA-N3-Oxazolidinecarboxylic acid, 4-(hydroxymethyl)-2,2-dimethyl-, 1,1-dimethylethyl ester, (R)-; (R)-4-Hydroxymethyl-2,2-dimethyloxazolidine-3-carboxylic acid tert-butyl esterIEA14963(R)-tert-butyl4-(hydroxymethyl)-2,2-dimethyloxazolidine-3-carboxylateMFCD11044965AKOS016844377DS-6029

データベース識別子

CAS: 108149-63-9
PubChem CID: 11053464
DTXSID: DTXSID00453496
EC Number: 847-996-0
Nikkaji: J1.984.959G、J430.805K

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

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
酸解離定数(Pka): 14.54 · 14.54±0.10(Predicted)

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.

Warning

H315 (50%): 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.