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基本情報
- CAS
186393-22-6- 標準SMILES
CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](O)C1- InChIKey
MAXQBMZDVBHSLW-KNVOCYPGSA-N- 分子式
- C9H17NO4
- 平均分子量
- 203.24 g/mol
- 単同位体質量
- 203.11575802
名称と識別子
- 優先名称
- Compound 10
- IUPAC
- tert-butyl (3S,4R)-3,4-dihydroxypyrrolidine-1-carboxylate
- 英語名
- (3R,4S)-tert-butyl 3,4-dihydroxypyrrolidine-1-carboxylate
- 分子式
- C9H17NO4
- 分子量
- 203.24
名称と別名
186393-22-6RefChem:578577683-394-2Compound 10(3R,4S)-tert-Butyl 3,4-dihydroxypyrrolidine-1-carboxylatetert-butyl (3R,4S)-3,4-dihydroxypyrrolidine-1-carboxylaterel-(3R,4S)-tert-Butyl 3,4-dihydroxypyrrolidine-1-carboxylateMFCD219190472856018-37-4tert-butyl cis-3,4-dihydroxypyrrolidine-1-carboxylatecis-tert-butyl 3,4-dihydroxypyrrolidine-1-carboxylatetert-butyl (3S,4R)-3,4-dihydroxypyrrolidine-1-carboxylate
名称をさらに表示
cis-1-Boc-3,4-dihydroxypyrrolidinetert-butyl-cis-3,4-dihydroxypyrrolidine-1-carboxylate3,4-Dihydroxy-pyrrolidine-1-carboxylic acid tert-butyl ester1-Pyrrolidinecarboxylic acid, 3,4-dihydroxy-, 1,1-dimethylethyl ester, (3R,4S)-rel-
SCHEMBL666524MAXQBMZDVBHSLW-KNVOCYPGSA-NCS-B1567CS2184(3R,4S)-1-Boc-dihydroxypyrrolidineAKOS017957537DS-7320AC-31615
データベース識別子
- CAS
186393-22-6- PubChem CID
- 13329883
- EC Number
- 683-394-2
- Nikkaji
- J2.817.339C
物性
構造計算による物性補完中
- XLogP
- -0.4
- 極性表面積
- 70 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 4
- 回転可能結合数
- 2
- 重原子数
- 14
- 形式電荷
- 0
- 複雑度
- 213
物理化学的性質
- 沸点
- 300.6 · 300.6±42.0 °C(Predicted)
- 比重(密度)
- 1.262 · 1.262±0.06 g/cm3(Predicted)
- 貯蔵温度
- Store at room temperature
- 酸解離定数(Pka)
- 13.91 · 13.91±0.40(Predicted)
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
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 38 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
- hs_code
- 29339900
化学と産業
応用分野
使用(3R,4S)-tert-butyl 3,4-dihydroxypyrrolidine-1-carboxylate is a heterocyclic derivative and can be used as a pharmaceutical intermediate.
サプライヤー53 社
上海康恩博医药科技有限公司（科小研试剂）400-1388-521 17510465506 · [email protected]
湖北威德利化学试剂有限公司186-02735115 18062128043 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
Aladdin Scientific[email protected]
南京腾怡生物科技有限公司17714337195 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
韶远科技（上海）有限公司4000665055 · [email protected]
湖北魏氏化学试剂股份有限公司17771898297 13125137661 · [email protected]
石家庄州昆医药科技有限公司0311-83784138 18633934202 · [email protected]
関連反応
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化合物ノート
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