1-(tert-Butoxycarbonyl)-4-piperidinecarboxylic acid (HCID 392871)

名称と識別子

優先名称: 1-(tert-Butoxycarbonyl)-4-piperidinecarboxylic acid
IUPAC: 1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
現地名: 1-(tert-ブトキシカルボニル)-4-ピペリジンカルボン酸
英語名: N-BOC-piperidine-4-carboxylic acid
分子式: C11H19NO4
分子量: 229.27

名称と別名

84358-13-4N-BOC-piperidine-4-carboxylic acid1-Boc-piperidine-4-carboxylic acid1-(tert-Butoxycarbonyl)-4-piperidinecarboxylic acid1-[(Tert-Butoxy)Carbonyl]Piperidine-4-Carboxylic AcidAAZ2CAT47BNSC 6939241,4-Piperidinedicarboxylic acid, 1-(1,1-dimethylethyl) ester1-tert-butoxycarbonylisonipecotic acidNSC-693924N-(tert-butoxycarbonyl)isonipecotic acidpiperidine-1,4-dicarboxylic acid 1-tert-butyl ester

名称をさらに表示

1-(tert-ブトキシカルボニル)-4-ピペリジンカルボン酸1-(tert-ブトキシカルボニル)イソニペコチン酸1-Boc-4-ピペリジンカルボン酸1-Boc-イソニペコチン酸N‐BOC‐ピペリジン‐4‐カルボン酸1-BOC-ピペリジン-4-カルボン酸1-TERT-ブトキシカルボニルピペリジン-4-カルボン酸BOC-イソニペコト酸N-BOC-ピペリジン-4-カルボン酸BOC-ピペリジン-4-カルボン酸N-T-ブトキシカルボニル-4-ピペリジンカルボン酸boc-イソニペコチン酸1-(TERT-BUTOXYCARBONYL)PIPERIDINE-4-CARBOXYLIC ACIDBOC-INP-OHBOC-ISONIPECOTIC ACIDBOC-INPBoc-DL-Inp-OHBOC-PIC(4)-OHAURORA KA-3052BUTTPARK 99\04-45RARECHEM AH CK 0061Bilastine Impurity 74

DTXSID702333431-tert-butoxycarbonyl-4-piperidinecarboxylic acidn-tert-butoxycarbonyl-4-piperidinecarboxylic acidpiperidine-1,4-dicarboxylic acid mono-tert-butyl ester1-[(tert-butyl)oxycarbonyl]piperidine-4-carboxylic acid1-(1,1-Dimethylethoxycarbonyl)Piperidine-4-Carboxylic Acidn-(tert-butoxycarbonyl)isonipecotinic acidn-(tert-butyloxycarbonyl)isonipecotic acid

データベース識別子

CAS: 84358-13-4
PubChem CID: 392871
DTXSID: DTXSID70233343
ChEMBL: CHEMBL1730672
UNII: AAZ2CAT47B
EC Number: 700-076-1
Nikkaji: J887.393C

物性

構造計算による物性

XLogP: 1.1
極性表面積: 66.8 Å²
水素結合供与体数: 1
水素結合受容体数: 4
回転可能結合数: 3
重原子数: 16
形式電荷: 0
複雑度: 274

物理化学的性質

融点: 148 · 148-153 °C
沸点: 353.2 · 353.2±35.0 °C(Predicted)
比重(密度): 1.164 · 1.164±0.06 g/cm3(Predicted)
貯蔵温度: Keep in dark place,Sealed in dry,Room Temperature
酸解離定数(Pka): 4.56 · 4.56±0.20(Predicted)
外見: 結晶性粉末
色: 白い
水溶解度: 水に不溶。
BRN: 5533442 · 5533442
主な用途: ペプチド合成
InChI: InChI=1S/C11H19NO4/c1-11(2,3)16-10(15)12-6-4-8(5-7-12)9(13)14/h8H,4-7H2,1-3H3,(H,13,14)
InChIKey: JWOHBPPVVDQMKB-UHFFFAOYSA-N
SMILES: N1(C(OC(C)(C)C)=O)CCC(C(O)=O)CC1
CAS データベース: 84358 · 84358-13-4(CAS DataBase Reference)

化学的性質

化学的特性White crystalline powder

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)

Aggregated GHS information provided per 13 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory InformationStatus: Active Update: 27-10-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/31799

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

安全データ

wgk: 3
hs_code: 29339900
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-37/39-24/25
hazard_class: IRRITANT
ストレージクラス: 11 - Combustible Solids

化学と産業

応用分野 · 2 件

用途有機合成原料。

使用It is a pharmaceutical intermediate. he camptothecin ester of isonipecotic acid is installed on a triazine dendrimer intermediate obtained through an iterative, scalable route to ultimately yield cationic and PEGylated targets with activities in cell culture comparable to free drug.