2-(TERT-ブチルトキシカルボニル)アクリル酸メチル

Methyl 2-((tert-butoxycarbonyl)amino)prop-2-enoate

HCID 10932500

ノート反応

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基本情報

CAS: 55477-80-0
標準SMILES: C=C(NC(=O)OC(C)(C)C)C(=O)OC
InChIKey: MGBHVVGQPZDMHA-UHFFFAOYSA-N
分子式: C9H15NO4
平均分子量: 201.22 g/mol
単同位体質量: 201.10010796

名称と識別子

優先名称: Methyl 2-((tert-butoxycarbonyl)amino)prop-2-enoate
IUPAC: methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]prop-2-enoate
現地名: 2-(TERT-ブチルトキシカルボニル)アクリル酸メチル
英語名: 2-tert-Butoxycarbonylamino-acrylic acid methyl ester
分子式: C9H15NO4
分子量: 201.22

名称と別名

DTXSID70448798methyl 2-[(tert-butoxycarbonyl)amino]prop-2-enoateMethyl 2-((tert-butoxycarbonyl)amino)prop-2-enoateRefChem:1089291DTXCID1039961955477-80-0Methyl 2-tert-butyloxycarbonylaminoacrylate2-TERT-BUTOXYCARBONYLAMINO-ACRYLIC ACID METHYL ESTERMFCD03840371methyl 2-(tert-butoxycarbonylamino)prop-2-enoateMethyl 2-((tert-butoxycarbonyl)amino)acrylateMethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]prop-2-enoate

名称をさらに表示

2-(TERT-ブチルトキシカルボニル)アクリル酸メチルBOC-DEHYDRO-ALANINE METHYL ESTERMethyl 2-(tert-Butoxycarbonyl)acrylate2-TERT-BUTOXYCARBONYLAMINO-ACRYLIC ACIDMethyl 2-tert-butoxycarbonylaMiNAacrylateMethyl 2-tert-butoxycarbonylaminoacrylateMethyl2-tert-ButyloxycarbonylaminoacrylateN-(tert-Butoxycarbonyl)dehydroalanine Methyl Ester

2-tert-Butoxycarbonylaminoacrylic acid methyl esterSCHEMBL295520CS-0014186methyl 2-[(tert-butoxycarbonyl)amino]acrylatemethyl 2-{[(tert-butoxy)carbonyl]amino}prop-2-enoatemethyl 2-(boc-amino)acrylate2-(Boc-amino)-2-propenoic acid methyl ester7KHR4EFR6T

データベース識別子

CAS: 55477-80-0
PubChem CID: 10932500
DTXSID: DTXSID70448798
UNII: 7KHR4EFR6T
EC Number: 155-541-6
Nikkaji: J531.569G

物性

構造計算による物性

XLogP: 1.5
極性表面積: 64.6 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: 5
重原子数: 14
形式電荷: 0
複雑度: 252

物理化学的性質

沸点: 265.3 · 265.3±32.0 °C(Predicted)
比重(密度): 1.071 · 1.071±0.06 g/cm3(Predicted)
貯蔵温度: 2 · 2-8°C
酸解離定数(Pka): 9.55 · 9.55±0.46(Predicted)
InChI: InChI=1S/C9H15NO4/c1-6(7(11)13-5)10-8(12)14-9(2,3)4/h1H2,2-5H3,(H,10,12)
InChIKey: MGBHVVGQPZDMHA-UHFFFAOYSA-N
SMILES: C(OC)(=O)C(NC(OC(C)(C)C)=O)=C

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.