2-メトキシピリミジン-5-ボロン酸

2-Methoxypyrimidine-5-boronic acid

HCID 2736778CAS 628692-15-9

基本情報

標準SMILES
COc1ncc(B(O)O)cn1
InChIKey
YPWAJLGHACDYQS-UHFFFAOYSA-N
分子式
C5H7BN2O3
平均分子量
153.93 g/mol
単同位体質量
154.05497248

名称と識別子

優先名称
2-Methoxypyrimidine-5-boronic acid
IUPAC
(2-methoxypyrimidin-5-yl)boronic acid
現地名
2-メトキシピリミジン-5-ボロン酸
英語名
2-Methoxypyrimidine-5-boronic acid
分子式
C5H7BN2O3
分子量
153.93

名称と別名

2-Methoxypyrimidine-5-boronic acid628692-15-9DTXSID70371597RefChem:262814DTXCID80322631670-240-4(2-methoxypyrimidin-5-yl)boronic Acid2-Methoxy-5-pyrimidineboronic acid2-methoxypyrimidin-5-ylboronic acidMFCD03094664Boronic acid, (2-methoxy-5-pyrimidinyl)-2-Methoxy-5-pyrimidylboronic Acid
名称をさらに表示
2-メトキシピリミジン-5-ボロン酸2-メトキシ-5-ピリミジルボロン酸2-メトキシ-5-ピリミジニルボロン酸2‐メトキシピリミジン‐5‐ボロン酸2-メトキシ-5-ピリミジンボロン酸2-METHOXYL-5-PYRIMIDYLBORIC ACID2-Methoxypyrimidine-5-boronicaci2-Methoxy PyriMidine boronic acid2-METHOXYL-5-PYRIMIDINEBORIC ACID2-MethoxypyriMidine-4-boronic acid
2-Methoxy-5-pyrimidinylboronic Acid(2-methoxypyrimidin-5-yl)boronicAcidHY-W0046982-METHOXYPYRIMIDIN-5-YL-5-BORONIC ACID2-Methoxy-pyrimidine-5-boronic acidMethoxypyrimidine-5-boronic acidA8682SCHEMBL9497

データベース識別子

CAS
628692-15-9
PubChem CID
2736778
DTXSID
DTXSID70371597
EC Number
670-240-4
Nikkaji
J2.035.654E

物性

構造計算による物性

極性表面積
75.5 Ų
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
2
重原子数
11

物理化学的性質

融点
161 °C · 161°C(lit.)
沸点
378.3 · 378.3±52.0 °C(Predicted)
比重(密度)
1.33 · 1.33±0.1 g/cm3(Predicted)
貯蔵温度
Keep in dark place,Sealed in dry,Room Temperature
溶解性
soluble in Methanol
外見
powder to crystal

化学的性質

化学的特性Off-white to light yellow solid

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (89.1%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 7 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 CategoriesAcute Tox. 4 (89.1%)

安全データ

wgk
WGK 3
PRTR法
第一種指定化学物質
hs_code
29349990
risk_code
36-41-36/37/38
hazard_code
Xi
safety_code
26-39-36/37/39

化学と産業

応用分野 · 1 件

使用2-Methoxypyrimidine-5-boronic acid serves as a coupling partner in Suzuki–Miyaura reactions to synthesize diverse heterocyclic scaffolds. It reacts with intermediates such as compound 26 or 6-bromo-3-(4-hydroxyphenyl)-coumarin using potassium carbonate and palladium catalysts (e.g., Pd(OAc)₂ or 1,1′-bis(di-tert-butylphosphino)ferrocene palladium dichloride) in solvents including DMF or deep eutectic systems at 85 °C. The reagent also couples with 2-(4-((4-chloro-6-morpholino-1,3,5-triazin-2-yl)amino)phenyl)ethan-1-ol in DME/aqueous sodium carbonate under microwave heating[1][2][3]. The compound participates in Liebeskind–Srögl couplings with thioester or amide intermediates (such as series 18a–18c or 20a–20f) using tetrakis(triphenylphosphine)palladium(0) and copper(I) thiophene-2-carboxylate in THF at 100 °C, yielding target products in ranges of 22–55% or 29–50%[1].

調製方法

5-Bromo-2-methoxypyrimidine could synthesize 2-Methoxypyrimidine-5-boronic acid as the start material.

サプライヤー50 社

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
科瑞迪化学400-821-5857 021-64326257 · [email protected]

関連反応

135 件

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