CAS 13726-69-7 1-((Tert-butoxy)carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid (HCID 335255)

基本情報

CAS: 13726-69-7
標準SMILES: CC(C)(C)OC(=O)N1CC(O)CC1C(=O)O
InChIKey: BENKAPCDIOILGV-UHFFFAOYSA-N
分子式: C10H17NO5
平均分子量: 231.25 g/mol
単同位体質量: 231.11067264

名称と識別子

優先名称: 1-((Tert-butoxy)carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
IUPAC: 4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
英語名: 1-(tert-butoxycarbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
分子式: C10H17NO5
分子量: 231.25

名称と別名

40350-82-11-[(tert-butoxy)carbonyl]-4-hydroxypyrrolidine-2-carboxylic acid1-((Tert-butoxy)carbonyl)-4-hydroxypyrrolidine-2-carboxylic acidRefChem:419073962-279-31-(tert-butoxycarbonyl)-4-hydroxypyrrolidine-2-carboxylic acidBoc-trans-4-Hydroxy-D-proline1-(tert-butoxycarbonyl)-4-hydroxy-2-pyrrolidinecarboxylic acidBoc-trans-4-hydroxy-L-proline4-Hydroxy-pyrrolidine-1,2-dicarboxylic acid 1-tert-butyl esterboc-cis-4-hydroxy-l-prolineBoc-L-trans-4-hydroxyproline

名称をさらに表示

N-Boc-4-hydroxy-proline1,2-Pyrrolidinedicarboxylic acid, 4-hydroxy-, 1-(1,1-dimethylethyl) ester

NSC-3437201-(tert-Butoxycarbonyl)-4-hydroxyprolineNSC3437201-Boc-4-hydroxypyrrolidine-2-carboxylic AcidOprea1_816854(2S,4R)-1-tert-Butyl 4-hydroxy-1,2-pyrrolidinecarboxylateSCHEMBL193111(2R,4S)-1-rel-(tert-Butoxycarbonyl)-4-hydroxypyrrolidine-2-carboxylic acid

データベース識別子

CAS: 13726-69-7、40350-82-1

物性

構造計算による物性

XLogP: 0.3
極性表面積: 87.1 Å²
水素結合供与体数: 2
水素結合受容体数: 5
回転可能結合数: 3
重原子数: 16
形式電荷: 0
複雑度: 296

物理化学的性質

沸点: 390.9 · 390.9±42.0 °C(Predicted)
比重(密度): 1.312 · 1.312±0.06 g/cm3(Predicted)
酸解離定数(Pka): 3.8 · 3.80±0.40(Predicted)

安全と法規制

GHS分類

GHS Classification · 4 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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

危険有害性情報

Hazard Classes and CategoriesSkin Irrit. 2 (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1-(Tert-butoxycarbonyl)-4-hydroxy-2-pyrrolidinecarboxylic acid is used as a reactant in the preparation of (pro-hyp-gly)n of defined molecular weights.