TERT-ブチルジアゾアセタート

Tert-butyl 2-diazoacetate

HCID 5097903

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 35059-50-8
標準SMILES: CC(C)(C)OC(=O)C=[N+]=[N-]
InChIKey: JBVSBLLOZVDAAZ-UHFFFAOYSA-N
分子式: C6H10N2O2
平均分子量: 142.16 g/mol
単同位体質量: 142.07422756

名称と識別子

優先名称: Tert-butyl 2-diazoacetate
IUPAC: tert-butyl 2-diazoacetate
現地名: TERT-ブチルジアゾアセタート
英語名: tert-Butyl diazoacetate
分子式: C6H10N2O2
分子量: 142.16

名称と別名

tert-Butyl 2-diazoacetateRefChem:892578628-315-4tert-Butyl diazoacetate35059-50-8tert-Butyl Diazoacetate, 85%t-butyl diazoacetatetert-Butyl Diazoacetate, 85per cent(tert-Butoxycarbonyl)diazomethanetert-butyl-diazoacetate2-Diazo-acetic Acid 1,1-Dimethylethyl EsterSCHEMBL42660

名称をさらに表示

TERT-ブチルジアゾアセタートt-Butyldiazo AcetateZolpidem Impurity 66tert-ButylDiazoacetate,85%tert-ButylDiazoacetate,80%azaylacetic acidtertbutyl estertert-Butyl diazoacetate solution

DTXSID20408281Diazo-acetic acid tert-butyl esterMFCD01318409AKOS0221851081-tert-Butoxy-2-diazonioethen-1-olateAS-81749BP-14216CS-0368614

データベース識別子

CAS: 35059-50-8
PubChem CID: 5097903
DTXSID: DTXSID20408281
EC Number: 628-315-4
Nikkaji: J645.201I

物性

構造計算による物性

XLogP: 1.4
極性表面積: 28.3 Å²
水素結合供与体数: 0
水素結合受容体数: 3
回転可能結合数: 3
重原子数: 10
形式電荷: 0
複雑度: 175

物理化学的性質

沸点: 51 · 51-53 °C/12 mmHg (lit.)
比重(密度): 1.026 g/mL · 1.026 g/mL at 25 °C (lit.)
屈折率: 20 · n20/D 1.453(lit.)
闪点: 110 °F · 110 °F
貯蔵温度: 2 · 2-8°C
溶解性: soluble in Chloroform, Methanol
外見: Oil
色: Clear Yellow
InChI: InChI=1S/C6H10N2O2/c1-6(2,3)10-5(9)4-8-7/h4H,1-3H3
InChIKey: JBVSBLLOZVDAAZ-UHFFFAOYSA-N
SMILES: C(C)(C)(C)OC(=O)C=[N+]=[N-]

化学的性質

化学的特性Yellow Oil

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P203, P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 4 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 CategoriesFlam. Liq. 3 (100%)

安全データ

wgk: 3
ridadr: UN 1993 3/PG 3
risk_code: 45-10-22-36/37/38-63-67-65-48/20-38-11
hazard_code: T,F
safety_code: 53-16-23-36/37/39-45-36/37-26-62
Hazard Classifications: Acute Tox. 4 OralCarc. 1BEye Irrit. 2Flam. Liq. 3Repr. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 3 - Flammable liquids

化学と産業

応用分野

使用An intermediate in the production of Zolpidem metabolites

一般的な説明tert-Butyl diazoacetate can be used for numerous organic transformations, including cyclopropanation, insertion, and aziridine-forming reactions.