(3R,4R)-3-アミノ-1-BOC-4-ヒドロキシピロリジン

(3R,4R)-3-Amino-1-Boc-4-hydroxypyrrolidine

HCID 11275699

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 148214-90-8
標準SMILES: CC(C)(C)OC(=O)N1C[C@@H](N)[C@H](O)C1
InChIKey: MOZOQDNRVPHFOO-RNFRBKRXSA-N
分子式: C9H18N2O3
平均分子量: 202.25 g/mol

名称と識別子

優先名称: (3R,4R)-3-Amino-1-Boc-4-hydroxypyrrolidine
IUPAC: tert-butyl (3R,4R)-3-amino-4-hydroxypyrrolidine-1-carboxylate
現地名: (3R,4R)-3-アミノ-1-BOC-4-ヒドロキシピロリジン
英語名: 1-Pyrrolidinecarboxylicacid,3-amino-4-hydroxy-,1,1-dimethylethylester,(3R,4R)-(9CI)
分子式: C9H18N2O3
分子量: 202.25

名称と別名

330681-18-0(3R,4R)-3-Amino-1-Boc-4-hydroxypyrrolidinerac-tert-butyl (3R,4R)-3-amino-4-hydroxypyrrolidine-1-carboxylateRefChem:401039674-576-2828-720-8148214-90-8(3R,4R)-TERT-BUTYL 3-AMINO-4-HYDROXYPYRROLIDINE-1-CARBOXYLATEtrans-3-Amino-1-Boc-4-hydroxypyrrolidinetert-butyl (3R,4R)-3-amino-4-hydroxypyrrolidine-1-carboxylate(3R,4R)-rel-tert-Butyl 3-amino-4-hydroxypyrrolidine-1-carboxylateMFCD11111251

名称をさらに表示

(3R,4R)-3-アミノ-1-BOC-4-ヒドロキシピロリジン(3R,4R)-4-aMino-1-N-Boc-3-hydroxypyrrolidineTrans-(3R,4R)-1-Boc-3-aMino-4-hydroxypyrrolidine1-Pyrrolidinecarboxylicacid,3-amino-4-hydroxy-,1,1-dimethylethylester,(3R,4R)-(9CI)1-Pyrrolidinecarboxylic acid, 3-amino-4-hydroxy-, 1,1-dimethylethyl ester, (3R,4R)-1-Pyrrolidinecarboxylicacid,3-amino-4-hydroxy-,1,1-dimethylethylester,(3R,4R)-(9CI) USP/EP/BP

(3R,4R)-1-Boc-3-amino-4-hydroxypyrrolidine1-PYRROLIDINECARBOXYLIC ACID, 3-AMINO-4-HYDROXY-, 1,1-DIMETHYLETHYL ESTER, (3R,4R)-REL-tert-Butyl trans-3-amino-4-hydroxypyrrolidine-1-carboxylatetrans-1-Boc-4-aminopyrrolidin-3-ol(3R,4R)-tert-butyl3-amino-4-hydroxypyrrolidine-1-carboxylateMFCD06858457rel-tert-Butyl (3R,4R)-3-amino-4-hydroxypyrrolidine-1-carboxylateSY023859

データベース識別子

CAS: 148214-90-8、330681-18-0
PubChem CID: 11275699
ChEMBL: CHEMBL4542210
EC Number: 674-576-2、828-720-8
Nikkaji: J970.514G

物性

構造計算による物性

XLogP: -0.6
極性表面積: 75.8 Å²
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: 225

物理化学的性質

沸点: 308.8 · 308.8±42.0 °C(Predicted)
比重(密度): 1.179 · 1.179
貯蔵温度: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
酸解離定数(Pka): 14.36 · 14.36±0.40(Predicted)

安全と法規制

GHS分類

GHS Classification · 6 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 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Danger

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]