(ベンジルオキシカルボニルメチル)トリフェニルホスホニウムブロミド

(Benzyloxycarbonylmethyl)triphenylphosphonium bromide

HCID 11214019

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 78385-36-1
標準SMILES: O=C(C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)OCc1ccccc1.[Br-]
InChIKey: AVQABZVTPWROCF-UHFFFAOYSA-M
分子式: C27H24BrO2P
平均分子量: 491.4 g/mol
単同位体質量: 490.06972874

名称と識別子

優先名称: (Benzyloxycarbonylmethyl)triphenylphosphonium bromide
IUPAC: (2-oxo-2-phenylmethoxyethyl)-triphenylphosphanium bromide
現地名: (ベンジルオキシカルボニルメチル)トリフェニルホスホニウムブロミド
英語名: (Benzyloxycarbonylmethyl)triphenylphosphonium bromide
分子式: C27H24BrO2P
分子量: 491.36

名称と別名

(Benzyloxycarbonylmethyl)triphenylphosphonium bromideRefChem:405862625-922-678385-36-1(2-(Benzyloxy)-2-oxoethyl)triphenylphosphonium bromideMFCD00191780CS-W009621(Cbz-methyl)triphenylphosphonium bromide(2-oxo-2-phenylmethoxyethyl)-triphenylphosphanium;bromideE76046[2-(Benzyloxy)-2-oxoethyl]triphenylphosphonium Bromide(2-benzyloxy-2-oxo-ethyl)-triphenyl-phosphonium bromide

名称をさらに表示

(ベンジルオキシカルボニルメチル)トリフェニルホスホニウムブロミドtriphenyl benzoxycarbonyl Methyl phosphon(benzyloxycarbonylmethyl)triphenyl-phosphonium brtriphenyl benzoxycarbonyl Methyl phosphoniuM broMide[2-oxo-2-(benzyloxy)ethyl]triphenyl-phosphonium bromide(2-oxo-2-phenylmethoxyethyl)-triphenylphosphonium bromide(Benzyloxycarbonylmethyl)triphenylphosphonium bromide, 98 %2-oxo-2-(phenylmethoxy)ethyl]triphenyl-Phosphonium bromide (1:1)(2-(Benzyloxy)-2-oxoethyl)triphenylphosphonium bromide - [B88653]

Phosphonium, [2-oxo-2-(phenylmethoxy)ethyl]triphenyl-, bromide(2-oxo-2-phenylmethoxyeFT-0641674A839407SCHEMBL180801DTXSID20458943AKOS015913459SY113556

データベース識別子

CAS: 78385-36-1
PubChem CID: 11214019
DTXSID: DTXSID20458943
EC Number: 625-922-6

物性

構造計算による物性

極性表面積: 26.3 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: 8
重原子数: 31
形式電荷: 0
複雑度: 463

物理化学的性質

融点: 124 °C · 124 °C (dec.)(lit.)
貯蔵温度: 2 · Storage temp. 2-8°C
InChI: 1S/C27H24O2P.BrH/c28-27(29-21-23-13-5-1-6-14-23)22-30(24-15-7-2-8-16-24,25-17-9-3-10-18-25)26-19-11-4-12-20-26;/h1-20H,21-22H2;1H/q+1;/p-1
InChIKey: AVQABZVTPWROCF-UHFFFAOYSA-M
SMILES: [Br-].O=C(C[P+](c1ccccc1)(c2ccccc2)c3ccccc3)OCc4ccccc4

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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.

危険有害性情報

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

安全データ

wgk: 3
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 11 - Combustible Solids

化学と産業

応用分野 · 1 件

使用Reactant for:Atypical aza-Morita-Baylis-Hillman mechanismThermal decompositionDouble aza-Michael reactionCyclodextrin derivativesStereoselective preparation of α,β-unsaturated carbonyl compounds via stereoselective Wittig olefination with aldehydes under solventless conditions or ultrasonicationSynthesis of [difluoro(alkenylphenyl)methyl]phosphonic acids on non-crosslinked polystyrene as inhibitors of PTP-1B via Wittig reaction