O-(T-ブチルジメチルシリル)ヒドロキシルアミン

O-(tert-Butyldimethylsilyl)hydroxylamine

HCID 4691350

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 41879-39-4
標準SMILES: CC(C)(C)[Si](C)(C)ON
InChIKey: SSUCKKNRCOFUPT-UHFFFAOYSA-N
分子式: C6H17NOSi
平均分子量: 147.29 g/mol
単同位体質量: 147.1079407

名称と識別子

優先名称: O-(tert-Butyldimethylsilyl)hydroxylamine
IUPAC: O-[tert-butyl(dimethyl)silyl]hydroxylamine
現地名: O-(T-ブチルジメチルシリル)ヒドロキシルアミン
英語名: O-(tert-Butyldimethylsilyl)hydroxylamine
分子式: C6H17NOSi
分子量: 147.29

名称と別名

O-(tert-Butyldimethylsilyl)hydroxylamine41879-39-4DTXSID00405612RefChem:366311DTXCID70356465623-284-3O-[tert-butyl(dimethyl)silyl]hydroxylamineAminoxy-tert-butyldimethylsilaneMFCD00054944O-(t-butyldimethylsilyl)hydroxylamineH2N-OTBSTBS-ONH2

名称をさらに表示

O-(T-ブチルジメチルシリル)ヒドロキシルアミンO-(TERT-ブチルジメチルシリル)ヒドロキシルアミンO-(t-ブチルジメチルシリル)ヒドロキシルアミン, 95%DK016AKOS 91557tert-Butyldimethylsilyloxyamine.OtertButyldiemthylsilylhydroxylamineO-(tert-Butyldimethylsilyl)hydroxylamine 95%o-(tert-butyldimethylsilyl)hydroxylamine, 95

O-(tert-Butyldiemthylsilyl)hydroxylamineSCHEMBL314434o-t-butyldimethylsilyl hydroxylamineO-tert-butyldimethylsilylhydroxylamineo-(t-Butyldimethylsilyl)hydroxyl-amineAS-79127CS-0343137F87305

データベース識別子

CAS: 41879-39-4
PubChem CID: 4691350
DTXSID: DTXSID00405612
ChEMBL: CHEMBL4174906
EC Number: 623-284-3
Nikkaji: J1.867.217K

物性

構造計算による物性

極性表面積: 35.3 Å²
水素結合供与体数: 1
水素結合受容体数: 2
回転可能結合数: 2
重原子数: 9
形式電荷: 0
複雑度: 95

物理化学的性質

融点: 62 · 62-65 °C (lit.)
沸点: 87 · 87-90 °C/40 mmHg (lit.)
比重(密度): 0.849 · 0.849±0.06 g/cm3(Predicted)
闪点: 54 °C · 54°C
貯蔵温度: 2 · 2-8°C
溶解性: ヘキサン、クロロホルム、およびほとんどの有機溶媒を自由に溶解し、水を溶解します。
酸解離定数(Pka): 4.75 · 4.75±0.70(Predicted)
外見: 個体
水溶解度: 水中で加水分解します。
BRN: 2424306 · 2424306
InChI: InChI=1S/C6H17NOSi/c1-6(2,3)9(4,5)8-7/h7H2,1-5H3
InChIKey: SSUCKKNRCOFUPT-UHFFFAOYSA-N
SMILES: NO[Si](C(C)(C)C)(C)C
CAS データベース: 41879 · 41879-39-4(CAS DataBase Reference)

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H314 (10.9%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H315 (89.1%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (89.1%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (89.1%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 4 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 CategoriesSkin Irrit. 2 (89.1%)；Eye Irrit. 2 (89.1%)；STOT SE 3 (89.1%)

安全データ

F: 10-21
wgk: 3
tsca: No
ridadr: UN 3259 8/PG 2
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
hazard_class: 8
packing_group: III
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 8A - Combustible corrosive hazardous materials

化学と産業

応用分野

使用O-(tert-Butyldimethylsilyl)hydroxylamine (tert-butyldimethylsilyl-O-hydroxylamine)is used to induce the cleavage, during solid supported synthesis of hydroxamic acids. It also finds it uses as a chemical additive and an intermediate.

調製方法 · 1 件

製造方法the reagents are most conveniently prepared by treatment of hydroxylamine hydrochloride with ethylenediamine in dichloromethane, followed by the appropriate chlorosilane.A two-step procedure using ammonia in place of ethylenediamine has also been reported.