CAS 83056-79-5 tert-Butyl (4S)-1-methyl-2-oxoimidazolidine-4-carboxylate (HCID 13053976)

基本情報

CAS: 83056-79-5
標準SMILES: CN1C[C@@H](C(=O)OC(C)(C)C)NC1=O
InChIKey: JHSLVEQWBDYFQN-LURJTMIESA-N
分子式: C9H16N2O3
平均分子量: 200.23 g/mol
単同位体質量: 200.11609238

名称と識別子

優先名称: tert-Butyl (4S)-1-methyl-2-oxoimidazolidine-4-carboxylate
IUPAC: tert-butyl (4S)-1-methyl-2-oxoimidazolidine-4-carboxylate
英語名: tert-Butyl(4S)-1-methyl-2-oxoimidazolidine-4-carboxylate
分子式: C9H16N2O3
分子量: 200.24

名称と別名

83056-79-5(S)-tert-Butyl 1-methyl-2-oxoimidazolidine-4-carboxylatetert-Butyl (4S)-1-methyl-2-oxoimidazolidine-4-carboxylateMFCD09952527(4S)-1-Methyl-2-oxo-4-imidazolidinecarboxylic Acid, tert-Butyl Estertert-butyl (S)-1-methyl-2-oxoimidazolidine-4-carboxylate4-Imidazolidinecarboxylic acid, 1-methyl-2-oxo-, 1,1-dimethylethyl ester, (4S)-JHSLVEQWBDYFQN-LURJTMIESA-NSCHEMBL5364081(S)-tert-Butyl1-methyl-2-oxoimidazolidine-4-carboxylateDTXSID00516590tert-butyl (4S)-1-methyl-2-oxo-imidazolidine-4-carboxylate

名称をさらに表示

(4S)-1-Methyl-2-oxo-Imidapril intermediateColesevelam Impurity 10(4S)-1-Methyl-2-oxo-IMidazolidine-TERT-BUTYL(4S)-1-METHYL-2-OXOIMIDAZOLIDI...ERT-BUTYL(4S)-1-METHYL-2-OXOIMIDAZOLIDINE-4-CARt-butyl(S)-1-methyl-2-oxoimidazolidine-4-carboxylate-tert-Butyl 1-methyl-2-oxoimidazolidine-4-carboxylate(S)-(-)-1-Methyl-2-oxoimidazolidine-4-carboxylicacidtert

AKOS015918395CS-W021185AC-25862DS-17498SY114591DB-224863F12031F224191

データベース識別子

CAS: 83056-79-5
PubChem CID: 13053976
DTXSID: DTXSID00516590
EC Number: 806-448-0
Nikkaji: J1.196.642J

物性

構造計算による物性

XLogP: 0.3
極性表面積: 58.6 Å²
水素結合供与体数: 1
水素結合受容体数: 3
回転可能結合数: 3
重原子数: 14
形式電荷: 0
複雑度: 257

物理化学的性質

沸点: 347.4 · 347.4±31.0 °C(Predicted)
比重(密度): 1.115 · 1.115±0.06 g/cm3(Predicted)
貯蔵温度: 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、メタノール
酸解離定数(Pka): 12.43 · 12.43±0.40(Predicted)
外見: 個体
色: オフホワイト
InChI: InChI=1S/C9H16N2O3/c1-9(2,3)14-7(12)6-5-11(4)8(13)10-6/h6H,5H2,1-4H3,(H,10,13)/t6-/m0/s1
InChIKey: JHSLVEQWBDYFQN-LURJTMIESA-N
SMILES: C1(=O)N(C)C[C@@H](C(OC(C)(C)C)=O)N1
CAS データベース: 83056 · 83056-79-5(CAS DataBase Reference)

化学的性質

化学的特性Off-White Solid

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 9 reports by companies from 1 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.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

安全データ

危険有害性情報: コード危険有害性情報危険有害性クラス区分注意喚起語シンボル P コード H302

化学と産業

応用分野

使用An intermediate in the preparation of Imidaprilat

上流・下流製品情報

上流原料

(S)-3-Methyl-2-oxo-iMidazolidine-1,5-dicarboxylic acid 1-benzyl ester 5-tert-butyl ester (S)-2-Oxo-iMidazolidine-1,5-dicarboxylic acid 1-benzyl ester 5-tert-butyl ester ベンジルアルコール

サプライヤー75 社

Shaanxi LonierHerb Bio Technology Co Ltd+86-86-+86-86-029-87551862 15002946897 · [email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

上海瑞上医药科技有限公司+86-021-54326183-8001 +86-18917565227 · [email protected]

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

上海腾准生物科技有限公司19821570922 · [email protected]

化合物ノート

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