(R)-(+)-3-(tert-ブトキシカルボニル)-4-メトキシカルボニル-2,2-ジメチル-1,3-オキサゾリジン

3-tert-butyl 4-methyl (4R)-2,2-dimethyl-1,3-oxazolidine-3,4-dicarboxylate

HCID 688220

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 95715-86-9
標準SMILES: COC(=O)[C@H]1COC(C)(C)N1C(=O)OC(C)(C)C
InChIKey: ZNBUXTFASGDVCL-MRVPVSSYSA-N
分子式: C12H21NO5
平均分子量: 259.3 g/mol
単同位体質量: 259.14197277

名称と識別子

優先名称: 3-tert-butyl 4-methyl (4R)-2,2-dimethyl-1,3-oxazolidine-3,4-dicarboxylate
IUPAC: 3-O-tert-butyl 4-O-methyl (4R)-2,2-dimethyl-1,3-oxazolidine-3,4-dicarboxylate
現地名: (R)-(+)-3-(tert-ブトキシカルボニル)-4-メトキシカルボニル-2,2-ジメチル-1,3-オキサゾリジン
英語名: Methyl (R)-(+)-3-(tert-butoxycarbonyl)-2,2-dimethyl-4-oxazolidinecarboxylate
分子式: C12H21NO5
分子量: 259.3

名称と別名

3-tert-butyl 4-methyl (4R)-2,2-dimethyl-1,3-oxazolidine-3,4-dicarboxylate(R)-Methyl-3-(tert-butoxycarbonyl)-2,2-dimethyl-4-oxazolidinecarboxylateRefChem:505322625-916-395715-86-9(R)-3-tert-Butyl 4-methyl 2,2-dimethyloxazolidine-3,4-dicarboxylateMethyl (R)-N-Boc-2,2-dimethyloxazolidine-4-carboxylateMethyl (R)-(+)-3-(tert-butoxycarbonyl)-2,2-dimethyl-4-oxazolidinecarboxylateMFCD006740413-O-tert-butyl 4-O-methyl (4R)-2,2-dimethyl-1,3-oxazolidine-3,4-dicarboxylateMethyl (R)-(+)-3-Boc-2,2-dimethyl-4-oxazolidinecarboxylate(R)-(+)-3-(tert-Butoxycarbonyl)-2,2-dimethyl-4-oxazolidinecarboxylic Acid Methyl Ester

名称をさらに表示

(R)-(+)-3-(tert-ブトキシカルボニル)-4-メトキシカルボニル-2,2-ジメチル-1,3-オキサゾリジン(R)-(+)-2,2-ジメチルオキサゾリジン-3,4-ジカルボン酸4-メチル3-tert-ブチル(R)-(+)-3-Boc-4-メトキシカルボニル-2,2-ジメチル-1,3-オキサゾリジン(R)-(+)-3-(TERT-ブチルトキシカルボニル)-2,2-ジメチル-4-オキサゾリジンカルボン酸メチルエステル-1,3-oxazoL4-dicarboxylateidine-4-carboxyLRARECHEM AH CK 0054ate, N-BOC protected(4R)-(+)-2,2-dimethyL2-diMethyloxazolidine-3(R)-3-tert-butyl 4-Methyl 2methyl (R)-3-(T-butoxycarbonyl)-2,2-di-me-4-oxaz

BP-12795ZNBUXTFASGDVCL-MRVPVSSYSA-N(4R)-2,2-Dimethyl-3,4-oxazolidinedicarboxylic Acid 3-(1,1-Dimethylethyl) 4-Methyl Ester; (R)-2,2-Dimethyloxazolidine-3,4-dicarboxylic Acid 3-tert-Butyl Ester 4-Methyl Ester;SCHEMBL1214193-(tert-butyl) 4-methyl (R)-2,2-dimethyloxazolidine-3,4-dicarboxylateDTXSID60350836(R)-(+)-3-(tert-Butoxycarbonyl)-4-methoxycarbonyl-2,2-dimethyl-1,3-oxazolidine(R)-(+)-3-(tert-Butoxycarbon

データベース識別子

CAS: 95715-86-9
PubChem CID: 688220
DTXSID: DTXSID60350836
UNII: N88SYW3697
EC Number: 625-916-3
Nikkaji: J1.410.237J

物性

構造計算による物性

XLogP: 1.4
極性表面積: 65.1 Å²
水素結合供与体数: 0
水素結合受容体数: 5
回転可能結合数: 4
重原子数: 18
形式電荷: 0
複雑度: 345

物理化学的性質

沸点: 89 °C/0.8 · 89 °C/0.8 mmHg(lit.)
比重(密度): 1.082 g/mL · 1.082 g/mL at 25 °C(lit.)
屈折率: 20 · n20/D 1.444(lit.)
闪点: 93 °C · 93 °C
貯蔵温度: Keep in dark place,Sealed in dry,Room Temperature
溶解性: クロロホルム、ジクロロメタン、酢酸エチル
酸解離定数(Pka): -3.58 · -3.58±0.60(Predicted)
外見: 油
色: 黄色
InChI: 1S/C12H21NO5/c1-11(2,3)18-10(15)13-8(9(14)16-6)7-17-12(13,4)5/h8H,7H2,1-6H3/t8-/m1/s1
InChIKey: ZNBUXTFASGDVCL-MRVPVSSYSA-N
SMILES: COC(=O)[C@H]1COC(C)(C)N1C(=O)OC(C)(C)C

化学的性質

化学的特性Yellow Oil

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (100%): 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 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.