(トリフェニルホスホラニリデン)酢酸ベンジル

Benzyl 2-(triphenyl-lambda5-phosphanylidene)acetate

HCID 3862746

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 15097-38-8
標準SMILES: O=C(C=P(c1ccccc1)(c1ccccc1)c1ccccc1)OCc1ccccc1
InChIKey: INKMLGJBBDRIQR-UHFFFAOYSA-N
分子式: C27H23O2P
平均分子量: 410.4 g/mol
単同位体質量: 410.14356661

名称と識別子

優先名称: Benzyl 2-(triphenyl-lambda5-phosphanylidene)acetate
IUPAC: benzyl 2-(triphenyl-λ5-phosphanylidene)acetate
現地名: (トリフェニルホスホラニリデン)酢酸ベンジル
英語名: Benzyl (triphenylphosphoranylidene)acetate
分子式: C27H23O2P
分子量: 410.44

名称と別名

benzyl 2-(triphenyl-lambda5-phosphanylidene)acetateRefChem:566590864-132-815097-38-8Benzyl 2-(triphenylphosphoranylidene)acetateBENZYL (TRIPHENYLPHOSPHORANYLIDENE)ACETATEBenzyl(triphenylphosphoranylidene)acetateMFCD00191787Acetic acid, 2-(triphenylphosphoranylidene)-, phenylmethyl esterC27H23O2Pbenzyl 2-(triphenyl-??-phosphanylidene)acetateSCHEMBL2389657

名称をさらに表示

(トリフェニルホスホラニリデン)酢酸ベンジルベンジル(トリフェニルホスホラニリデン)アセタートbenzyl 2-(triphenyl-LABOTEST-BB LT00452383(BenzyloxycarbonylMethylene)triphenylphosphBenzyl(triphenylphosphoranylidene)acetate 97%(benzyloxycarbonylmethylene)triphenylphosphino3-phenyl-2-triphenylphosphoranylidenepropanoatebenzyl 2-(triphenyl-l5-phosphaneylidene)acetateBenzyl (triphenylphosphoranylidene)acetate, 97 %

Acetic acid, (triphenylphosphoranylidene)-, phenylmethyl esterbenzyloxycarbonylmethylene triphenyl phosphoranephenylmethyl 2-(triphenylylidene)acetateDTXSID40397527QAA09738GEO-02511SBB057721AKOS015909319

データベース識別子

CAS: 15097-38-8
PubChem CID: 3862746
DTXSID: DTXSID40397527
EC Number: 864-132-8
Nikkaji: J950.612H

物性

構造計算による物性

XLogP: 5.5
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: 2
回転可能結合数: 7
重原子数: 30
形式電荷: 0
複雑度: 521

物理化学的性質

融点: 120 · 120-122 °C(lit.)
沸点: 571.1 · 571.1±43.0 °C(Predicted)
比重(密度): 1.19 · 1.19±0.1 g/cm3(Predicted)
貯蔵温度: Keep in dark place,Sealed in dry,Room Temperature
外見: 粉
色: ホワイトからオフホワイト
InChI: InChI=1S/C27H23O2P/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/h1-20,22H,21H2
InChIKey: INKMLGJBBDRIQR-UHFFFAOYSA-N
SMILES: C(OCC1=CC=CC=C1)(=O)C=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1

化学的性質

化学的特性white to off-white powder

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 4 (100%)

安全データ

wgk: 3
hs_code: 29319019
risk_code: 36/37/38-20/21/22
hazard_code: Xn
safety_code: 36/37/39-26-22-24/25
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: Tributylphosphine-mediated vinylogous Wittig reactionsSynthesis of 1,2-dioxanes for antitrypanosomal activityOrganocatalytic Michael-type reactions / Wittig reactions of phosphorus ylides and unsaturated ketonesStereoselective phosphine-catalyzed cycloaddition to form spirocyclopenteneoxindolesEnantioselective synthesis of pantothenic acidPreparation of phosphorus ylides from phosphoranes and acetic anhydride