3-アミノ-5-フルオロピリジン

5-Fluoro-3-pyridinamine

HCID 574450
ノート反応
部分構造検索類似構造を探す

基本情報

CAS
210169-05-4
標準SMILES
Nc1cncc(F)c1
InChIKey
ZRORIJXOWXYPMO-UHFFFAOYSA-N
分子式
C5H5FN2
平均分子量
112.1 g/mol
単同位体質量
112.04367638

名称と識別子

優先名称
5-Fluoro-3-pyridinamine
IUPAC
5-fluoropyridin-3-amine
現地名
3-アミノ-5-フルオロピリジン
英語名
3-Amino-5-fluoropyridine
分子式
C5H5FN2
分子量
112.11

名称と別名

5-fluoropyridin-3-amine210169-05-45-Fluoro-3-pyridinamineT287Q2D5WGDTXSID10943318RefChem:1072928DTXCID3013716893-Amino-5-fluoropyridine5-Amino-3-fluoropyridine3-Pyridinamine, 5-fluoro-462652-33-1(5-Fluoropyridin-3-yl)amine
名称をさらに表示
3-アミノ-5-フルオロピリジン3-PyridinaMine,5-fluoro-3-Amine-5-fluoro-pyridin3-AMine-5-fluoro-pyridine3-Amino-5-fluoropyridine >3-aMino -5-fluorine pyridine3-AMINO-5-FLUOROPYRIDINE 97%
MFCD002340735-fluoro-pyridin-3-ylamineCS-W008078AC-9568Z12016199105-fluoro-3-pyridylamine3-FLUORO-5-AMINOPYRIDINE5-FLUOROPYRIDIN-3-YLAMINE

データベース識別子

CAS
210169-05-4
PubChem CID
574450
DTXSID
DTXSID10943318
UNII
T287Q2D5WG
EC Number
664-255-5

物性

構造計算による物性

XLogP
0.3
極性表面積
38.9 Ų
水素結合供与体数
1
水素結合受容体数
3
回転可能結合数
0
重原子数
8

実験および物理化学的性質

SpringerMaterials PropertiesChemical shift

物理化学的性質

融点
86 °C · 86°C
沸点
232.7 · 232.7±20.0 °C(Predicted)
比重(密度)
1.257 · 1.257±0.06 g/cm3(Predicted)
貯蔵温度
Keep in dark place,Inert atmosphere,Room temperature
外見
powder to crystal
酸解離定数(Pka)
3.74 · 3.74±0.20(Predicted)

化学的性質

化学的特性Light yellow Crystal

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (93.5%): 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 (93.5%)

安全データ

wgk
3
hs_code
2933399990
risk_code
20/21/22-36/37/38-22
hazard_code
Xi,Xn
safety_code
26-36-36/37
hazard_class
IRRITANT

化学と産業

応用分野 · 1 件

使用3-amino-5-fluoropyridine is an important intermediate mainly used in medicine and organic synthesis. It is used to synthesize Ivosidenib. Ivosidenib is an isocitrate dehydrogenase-1 inhibitor used to treat acute myeloid leukemia and cholangiocarcinoma in adults.

調製方法 · 1 件

製造方法synthesis of 3-Amino-5-fluoropyridine: A solution of 3-amino-2,4,6-tribromo-5-fluoropyridine (23c) (0.9 g, 2.6 mmol), triethylamine (1.1 cm3, 7.9 mmol), palladium catalyst (0.1 g of 5% Pd-C catalyst) and DCM (15 cm3) was hydrogenated on a Parr apparatus for 18 h. Water (20 cm3) was added and the mixture filtered and extracted into DCM. The DCM solution was dried (MgS04) and evaporated giving 3-amino-5-fluoropyridine (0.3 g, >95% ), m.p. 86 ·c (from DCM) (Found: C, 53.6; H, 4.6; N, 25.0. C5H5FN2 requires C, 53.6; H, 4.5 N, 25.0%);IR spectrum no. 9; mass spectrum no. 5; nmr spectrum no. 29.

上流・下流製品情報

サプライヤー100 社

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
上海赫文斯化工有限公司15721252604 17321035817 · [email protected]
南京德豪斯医药科技有限公司025-52161033 15312098939 · [email protected]

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