(tert-ブト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

(tert-Butoxycarbonylmethyl)triphenylphosphonium Bromide

HCID 2733853

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基本情報

CAS: 59159-39-6
標準SMILES: CC(C)(C)OC(=O)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
InChIKey: ZGLFRTJDWWKIAK-UHFFFAOYSA-M
分子式: C24H26BrO2P
平均分子量: 457.3 g/mol
単同位体質量: 456.08538

名称と識別子

優先名称: (tert-Butoxycarbonylmethyl)triphenylphosphonium Bromide
IUPAC: [2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-triphenylphosphanium bromide
現地名: (tert-ブト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: (tert-Butoxycarbonylmethyl)triphenylphosphanium bromide
分子式: C24H26BrO2P
分子量: 457.34

名称と別名

(tert-Butoxycarbonylmethyl)triphenylphosphonium bromideRefChem:408456628-357-359159-39-6(2-(tert-Butoxy)-2-oxoethyl)triphenylphosphonium bromideMFCD00075527SCHEMBL629737Phosphonium, [2-(1,1-dimethylethoxy)-2-oxoethyl]triphenyl-, bromide(Boc-methyl)triphenylphosphonium bromide[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-triphenylphosphanium;bromide[2-(tert-Butoxy)-2-oxoethyl]triphenylphosphonium BromideZGLFRTJDWWKIAK-UHFFFAOYSA-M

名称をさらに表示

(tert-ブト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NSC 82468carbo-tert-butoxymethyl triphenylphospT-butoxycarbonylMethyltriphenylphosphoniuMbroMidetert-Butoxycarbonylmethyltriphenylphosphoniumbromcarbo-tert-butoxymethyl triphenylphosphonium bromide(tert-Butoxycarbonylmethyl)triphenylphosphanium bromide

(2-tert-butoxy-2-oxo-ethyl)-triphenyl-phosphonium;bromideDTXSID00370018NSC82468NSC-82468AKOS008901294CS-W009646SY060199B3928

データベース識別子

CAS: 59159-39-6
PubChem CID: 2733853
DTXSID: DTXSID00370018
EC Number: 628-357-3

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: 7
重原子数: 28
形式電荷: 0
複雑度: 418

物理化学的性質

融点: 178 °C · 178 °C (dec.)(lit.)
貯蔵温度: Inert atmosphere,Room Temperature
溶解性: soluble in Methanol
外見: powder to crystal
色: White to Almost white
BRN: 4631405 · 4631405
InChI: 1S/C24H26O2P.BrH/c1-24(2,3)26-23(25)19-27(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22;/h4-18H,19H2,1-3H3;1H/q+1;/p-1
InChIKey: ZGLFRTJDWWKIAK-UHFFFAOYSA-M
SMILES: [Br-].CC(C)(C)OC(=O)C[P+](c1ccccc1)(c2ccccc2)c3ccccc3
CAS データベース: 59159 · 59159-39-6(CAS DataBase Reference)

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 45 reports by companies from 5 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 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.8%)

安全データ

wgk: 3
hs_code: 29319019
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-37/39
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:Rhodium-catalyzed asymmetric hydrogenation reactionsWittig reactionWittig methylenationPreparation of N-(phenylmethyl)-cis-pyrrolidinediacetic acid esters via double aza-Michael addition reactionStereoselective preparation of of α-fluoro-α,β-unsaturated esters via deprotonation, followed by fluorination and stereoselective Wittig olefination with aldehydesWittig chain extension reactions