Tert-butyl (3R)-3-(methanesulfonyloxy)pyrrolidine-1-carboxylate

HCID 10934372

ノート反応

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基本情報

CAS: 127423-61-4
標準SMILES: CC(C)(C)OC(=O)N1CC[C@@H](OS(C)(=O)=O)C1
InChIKey: KWQRKOSMSFLBTJ-MRVPVSSYSA-N
分子式: C10H19NO5S
平均分子量: 265.33 g/mol
単同位体質量: 265.09839371

名称と識別子

優先名称: Tert-butyl (3R)-3-(methanesulfonyloxy)pyrrolidine-1-carboxylate
IUPAC: tert-butyl (3R)-3-methylsulfonyloxypyrrolidine-1-carboxylate
英語名: ethyl 2-chloro-4-ethoxy-nicotinate
分子式: C10H19NO5S
分子量: 265.33

名称と別名

tert-butyl (3R)-3-(methanesulfonyloxy)pyrrolidine-1-carboxylateRefChem:891814108-234-6127423-61-4(R)-1-Boc-3-methanesulfonyloxypyrrolidine(R)-tert-Butyl 3-((methylsulfonyl)oxy)pyrrolidine-1-carboxylateethyl 2-chloro-4-ethoxy-nicotinatetert-Butyl (3R)-3-methylsulfonyloxypyrrolidine-1-carboxylate(R)-1-Boc-3-(methylsulfonyloxy)pyrrolidine(R)-3-Methanesulfonyloxy-pyrrolidine-1-carboxylic acid tert-butyl esterMFCD06809586C10H19NO5S

名称をさらに表示

Bexagliflozin Impurity 17(R)-1-Boc-3-[(methylsulfonyl)oxy]pyrrolidine(3R)-N-(tert-Butoxycarbonyl)-3-(methylsulfonyloxy)pyrrolidinetert-Butyl (R)-3-(methylsulfonyloxy)pyrrolidine-1-carboxylatetert-Butyl (R)-3-[(methylsulfonyl)oxy]pyrrolidine-1-carboxylatetert-Butyl (3R)-3-[(methylsulfonyl)oxy]pyrrolidine-1-carboxylate1,1-Dimethylethyl (3R)-3-[(methylsulfonyl)oxy]-1-pyrrolidinecarboxylate(R)-3-[(Methylsulfonyl)oxy]pyrrolidine-1-carboxylic acid tert-butyl ester1-Pyrrolidinecarboxylic acid, 3-[(methylsulfonyl)oxy]-, 1,1-dimethylethylester, (3R)-

(R)-TERT-BUTYL 3-(METHYLSULFONYLOXY)PYRROLIDINE-1-CARBOXYLATESCHEMBL66145DTXSID30448936KWQRKOSMSFLBTJ-MRVPVSSYSA-NAB3122AKOS015838270AKOS015897544CS-W001383

データベース識別子

CAS: 127423-61-4
PubChem CID: 10934372
DTXSID: DTXSID30448936
EC Number: 108-234-6
Nikkaji: J2.321.646I

物性

構造計算による物性

XLogP: 0.7
極性表面積: 81.3 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: 17
形式電荷: 0
複雑度: 378

物理化学的性質

沸点: 392.9 · 392.9±31.0 °C(Predicted)
比重(密度): 1.25 · 1.25±0.1 g/cm3(Predicted)
貯蔵温度: 2 · 2-8°C
酸解離定数(Pka): -3.65 · -3.65±0.40(Predicted)

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H301 (50%): Toxic if swallowed [Danger Acute toxicity, oral]

P264, P264+P265, P270, P280, P301+P316, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, 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.