4-BOC-2-モルホリンカルボン酸

4-((Tert-butoxy)carbonyl)morpholine-2-carboxylic acid

HCID 2755965

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 189321-66-2
標準SMILES: CC(C)(C)OC(=O)N1CCOC(C(=O)O)C1
InChIKey: LGWMTRPJZFEWCX-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: 4-((Tert-butoxy)carbonyl)morpholine-2-carboxylic acid
IUPAC: 4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylic acid
現地名: 4-BOC-2-モルホリンカルボン酸
英語名: 4-BOC-2-MORPHOLINECARBOXYLIC ACID
分子式: C10H17NO5
分子量: 231.25

名称と別名

4-[(tert-butoxy)carbonyl]morpholine-2-carboxylic acid4-((Tert-butoxy)carbonyl)morpholine-2-carboxylic acidRefChem:509958801-250-0189321-66-24-Boc-2-morpholinecarboxylic acidN-Boc-Morpholine-2-carboxylic acid4-(tert-butoxycarbonyl)morpholine-2-carboxylic acidN-Boc-2-morpholinecarboxylic acidMFCD013210064-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylic Acid4-tert-butoxycarbonylmorpholine-2-carboxylic acid

名称をさらに表示

4-BOC-2-モルホリンカルボン酸BOC-COP-OHBOC-COPBoc-(R,S)-Cop-OHRARECHEM EM WB 0087(R,S)-BOC-2-CARBOXYMORPHOLINEBOC-(R,S)-2-CARBOXYMORPHOLINE

4-(1,1-Dimethylethyl) Ester 2,4-Morpholinedicarboxylic Acid(2S)-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylic acidboc-2-carboxymorpholineSCHEMBL59641(rac)-boc-2-carboxymorpholineDTXSID40373164LGWMTRPJZFEWCX-UHFFFAOYSA-NMORPHOLINE-2,4-DICARBOXYLIC ACID 4-TERT-BUTYL ESTER

データベース識別子

CAS: 189321-66-2
PubChem CID: 2755965
DTXSID: DTXSID40373164
EC Number: 801-250-0

物性

構造計算による物性

XLogP: 0.4
極性表面積: 76.1 Å²
水素結合供与体数: 1
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: 283

物理化学的性質

融点: 139 oC · >139oC (dec.)
沸点: 369.5 · 369.5±42.0 °C(Predicted)
比重(密度): 1.23 · 1.230±0.06 g/cm3(Predicted)
貯蔵温度: 2 · Sealed in dry,2-8°C
溶解性: DMSO（微量）、酢酸エチル（微量、加温）
外見: 個体
酸解離定数(Pka): 3.25 · 3.25±0.20(Predicted)
色: オフホワイトからペールベージュ
InChI: InChI=1S/C10H17NO5/c1-10(2,3)16-9(14)11-4-5-15-7(6-11)8(12)13/h7H,4-6H2,1-3H3,(H,12,13)
InChIKey: LGWMTRPJZFEWCX-UHFFFAOYSA-N
SMILES: N1(C(OC(C)(C)C)=O)CCOC(C(O)=O)C1

化学的性質

化学的特性4-BOC-2-MORPHOLINECARBOXYLIC ACID is white to off-white powder

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (75%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Hazard Classes and CategoriesSkin Irrit. 2 (75%)

安全データ

hs_code: 29334900
risk_code: 36-51
hazard_code: Xi
safety_code: 26

化学と産業

応用分野

使用4-BOC-2-MORPHOLINECARBOXYLIC ACID is used in the preparation of potent and selective 3-phosphoinositide-dependent kinase 1 (PDK 1) inhibitors used in the treatment of multipl e myelomas.