(R)-(+)-4-ホルミル-2,2-ジメチル-3-オキサゾリジンカルボン酸TERT-ブチル

3-Boc-2,2-dimethyloxazolidine-4-carboxaldehyde, (R)-(+)-

HCID 178792CAS 95715-87-0

部分構造検索類似構造を探す

基本情報

標準SMILES: CC(C)(C)OC(=O)N1[C@@H](C=O)COC1(C)C
InChIKey: PNJXYVJNOCLJLJ-QMMMGPOBSA-N
分子式: C11H19NO4
平均分子量: 229.27 g/mol
単同位体質量: 229.13140809

名称と識別子

優先名称: 3-Boc-2,2-dimethyloxazolidine-4-carboxaldehyde, (R)-(+)-
IUPAC: tert-butyl (4R)-4-formyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
現地名: (R)-(+)-4-ホルミル-2,2-ジメチル-3-オキサゾリジンカルボン酸TERT-ブチル
英語名: tert-Butyl (R)-(+)-4-formyl-2,2-dimethyl-3-oxazolidinecarboxylate
分子式: C11H19NO4
分子量: 229.27

名称と別名

95715-87-0(R)-Garner Aldehyde(R)-Garner's aldehydeGarner's aldehyde R-form [MI]UPK623LV603-Boc-2,2-dimethyloxazolidine-4-carboxaldehyde, (R)-(+)-3-Oxazolidinecarboxylic acid, 4-forMyl-2,2-diMethyl-, 1,1-diMethylethyl ester, (4R)-(+)-tert-Butyl 4-formyl-2,2-dimethyl-3-oxazolidinecarboxylate(R)-tert-Butyl 4-formyl-2,2-dimethyl-3-oxazolidinecarboxylate(R)-4-Formyl-2,2-dimethyloxazolidine-3-carboxylic acid tert-butyl esterRefChem:498081GARNER'S ALDEHYDE R-FORM

名称をさらに表示

(R)-(+)-4-ホルミル-2,2-ジメチル-3-オキサゾリジンカルボン酸TERT-ブチル(R)‐(+)‐4‐ホルミル‐2,2‐ジメチル‐3‐オキサゾリジンカルボン酸TERT‐ブチル(4R)-3-TERT-ブチルトキシカルボニル-2,2-ジメチル-4-ホルミルオキサゾリジン(R)-(+)-3-BOC-2,2-ジメチルオキサゾリジン-4-カルボキシアルデヒドtert-butyl (R)-4-formyl-2,2-dimethyloxazolidine-3-carboxylate(R)-3-tert-butoxycarbonyl-4-formyl-2,2-dimethyloxazolidinetert-Butyl (4R)-4-formyl-2,2-dimethyl-oxazolidine-3-carboxylatetert-Butyl (R)R-Garner'saldehyde(S)-Garner's Aldehyde(+)-n-boc-n,o-isopropylidene-d-serinal(R)-2,2-diMethyloxazolidine-4-carbaldehyde

(R)-tert-butyl 4-formyl-2,2-dimethyloxazolidine-3-carboxylatetert-butyl (4R)-4-formyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylateMFCD00674064tert-Butyl (R)-(+)-4-formyl-2,2-dimethyl-3-oxazolidinecarboxylate(R)-(+)-3-Boc-2,2-dimethyloxazolidine-4-carboxaldehydeUNII-UPK623LV60(R)-4-Formyl-2,2-dimethyl-oxazolidine-3-carboxylic acid tert-butyl ester(4R)-3-tert-Butoxycarbonyl-2,2-dimethyl-4-formyloxazolidine

データベース識別子

CAS: 95715-87-0
PubChem CID: 178792
DTXSID: DTXSID70914847
UNII: UPK623LV60
EC Number: 627-510-1
Nikkaji: J329.940F

物性

構造計算による物性

XLogP: 1
極性表面積: 55.8 Å²
水素結合供与体数: 0
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: 293

物理化学的性質

沸点: 67 °C/0.3 · 67 °C/0.3 mmHg(lit.)
比旋光度: 27 · D27 +103° (c = 1.0 in CHCl3)
比重(密度): 1.06 g/mL · 1.06 g/mL at 25 °C(lit.)
屈折率: 1.445 · 1.445-1.447
闪点: 107 °C · 107 °C
貯蔵温度: 2 · under inert gas (nitrogen or Argon) at 2-8°C
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): -3.26 · -3.26±0.60(Predicted)
外見: 油
色: 無色～淡黄色
BRN: 3651554 · 3651554
InChI: InChI=1S/C11H19NO4/c1-10(2,3)16-9(14)12-8(6-13)7-15-11(12,4)5/h6,8H,7H2,1-5H3/t8-/m0/s1
InChIKey: PNJXYVJNOCLJLJ-QMMMGPOBSA-N
SMILES: O1C[C@H](C=O)N(C(OC(C)(C)C)=O)C1(C)C

化学的性質

化学的特性Clear pale yellow oil

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.