6-(Di-Boc-amino)-2-bromopyridine

HCID 16217971

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 870703-61-0
標準SMILES: CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1cccc(Br)n1
InChIKey: MRXCEYKGPXZUBZ-UHFFFAOYSA-N
分子式: C15H21BrN2O4
平均分子量: 373.24 g/mol
単同位体質量: 372.06847

名称と識別子

優先名称: 6-(Di-Boc-amino)-2-bromopyridine
IUPAC: tert-butyl N-(6-bromo-2-pyridinyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
英語名: 6-(Di-Boc-amino)-2-bromopyridine
分子式: C15H21BrN2O4
分子量: 373.25

名称と別名

6-(Di-Boc-amino)-2-bromopyridineRefChem:539654626-757-2870703-61-0Di-tert-butyl 6-bromopyridin-2-ylimidodicarbonateMFCD07784371N,N-Bis-tert-butoxycarbonyl6-bromopyridin-2-aminetert-butyl N-(6-bromopyridin-2-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamateSCHEMBL943797DTXSID10584689MRXCEYKGPXZUBZ-UHFFFAOYSA-NAKOS000279076

名称をさらに表示

6-(Di-Boc-amino)-2-bromopyridine 96%di-tert-butyl (6-bromo-2-pyridinyl)imidodicarbonate6-(DI-BOC-AMINO)-2-BROMOPYRIDINE ISO 9001：2015 REACHImidodicarbonic acid, 2-(6-bromo-2-pyridinyl)-, 1,3-bis(1,1-dimethylethyl) esterN-(6-bromo-2-pyridinyl)-N-[(2-methylpropan-2-yl)oxy-oxomethyl]carbamic acid tert-butyl ester

FS-48436-(Di-Boc-amino)-2-bromopyridine, 96%CS-0092835D85815Di-tert-butyl6-bromopyridin-2-ylimidodicarbonateDi-tert-butyl (6-bromopyridin-2-yl)-2-imidodicarbonatetert-butyl (6-bromopyridin-2-yl)(tert-butoxycarbonyl)carbamatetert-butyl N-(6-bromo-2-pyridyl)-N-tert-butoxycarbonyl-carbamate

データベース識別子

CAS: 870703-61-0
PubChem CID: 16217971
DTXSID: DTXSID10584689
EC Number: 626-757-2

物性

構造計算による物性

XLogP: 4.1
極性表面積: 68.7 Å²
水素結合供与体数: 0
水素結合受容体数: 5
回転可能結合数: 5
重原子数: 22
形式電荷: 0
複雑度: 387

物理化学的性質

融点: 123 · 123-127 °C(lit.)
沸点: 416.6 · 416.6±55.0 °C(Predicted)
比重(密度): 1.352 · 1.352±0.06 g/cm3(Predicted)
外見: solid
酸解離定数(Pka): -2.81 · -2.81±0.10(Predicted)
InChI: 1S/C15H21BrN2O4/c1-14(2,3)21-12(19)18(13(20)22-15(4,5)6)11-9-7-8-10(16)17-11/h7-9H,1-6H3
InChIKey: MRXCEYKGPXZUBZ-UHFFFAOYSA-N
SMILES: CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1cccc(Br)n1

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]；H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]

P261, P264, P264+P265, P270, P271, P273, 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 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)；Aquatic Chronic 4 (100%)

安全データ

wgk: 3
risk_code: 22-36/37/38
hazard_code: Xn
safety_code: 26-36
Hazard Classifications: Acute Tox. 4 OralAquatic Chronic 4Eye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 11 - Combustible Solids

化学と産業

上流・下流製品情報

上流原料

2-アミノ-6-ブロモピリジン二炭酸ジ-tert-ブチル

下流製品

(6-Bromo-2-pyridinyl)-carbamic acid,1,1-dimethylethyl ester

サプライヤー20 社

Sichuan Biosynce Pharmatech Co., Ltd.[email protected]

石家庄衍晟生物科技有限公司18332018567; 18332018567 · [email protected]

淮安嘉目生物科技有限公司0517-83187139 18205232085 · [email protected]

安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]

常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]

化合物ノート

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