CAS 35000-38-5 tert-Butyl (triphenylphosphoranylidene) acetate (HCID 256127)

概要

Tert-butyl (triphenylphosphoranylidene)acetate is a phosphine.

名称と識別子

優先名称: tert-Butyl (triphenylphosphoranylidene) acetate
IUPAC: tert-butyl 2-(triphenyl-λ5-phosphanylidene)acetate
現地名: (TERT-ブトキシカルボニルメチレン)トリフェニルホスホラン
英語名: tert-Butyl(triphenylphosphoranylidene)acetate
分子式: C24H25O2P
分子量: 376.43

名称と別名

tert-butyl (triphenylphosphoranylidene) acetateAcetic acid, (triphenylphosphoranylidene)-, 1,1-dimethylethyl esterDTXSID50865742EC 412-880-7NSC 82469RefChem:891959DTXCID10814115t-Butyl (triphenylphosphoranylidene) acetate412-880-735000-38-5tert-Butyl 2-(triphenylphosphoranylidene)acetate(tert-Butoxycarbonylmethylene)triphenylphosphorane

名称をさらに表示

(TERT-ブトキシカルボニルメチレン)トリフェニルホスホラン(トリフェニルホスホラニリデン)酢酸tert-ブチルtert-ブチル=(トリフェニル-λ5-ホスファン-1-イリデン)アセタートトリフェニルホスホラニリデン酢酸tert-ブチル2-(トリフェニルホスホラニリデン)酢酸tert-ブチル2-(triphenyLTert-Butyl (TriphenLABOTEST-BB LT00233234Triphenylphoranylidenetert-butyl 2-(triphenyl-ert-Butyl(triphenylphosphoranylidene)acetate(Carbo-tert-butoxymethylene)triphenylphosphoranetert-Butyl 2-tri(phenyl)phosphoranylideneacetate(tert-butoxycarbonylmethylene)triphenyl-phosphora

tert-Butyl(triphenylphosphoranylidene)acetateMFCD00075545tert-butyl 2-(triphenyl-lambda5-phosphanylidene)acetateTERT-BUTYL (TRIPHENYLPHOSPHORANYLIDENE)ACETATEC24H25O2P(t-butoxycarbonylmethylene)triphenylphosphorane(tert-?Butoxycarbonylmethyl?ene)?triphenylphosphoraneNSC82469

データベース識別子

CAS: 35000-38-5
PubChem CID: 256127
DTXSID: DTXSID50865742
ChEBI: CHEBI:188699
EC Number: 412-880-7、609-052-4
Nikkaji: J901.762C

物性

構造計算による物性

XLogP: 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: 6
重原子数: 27
形式電荷: 0
複雑度: 475

物理化学的性質

融点: 152 · 152-155 °C(lit.)
沸点: 503.5 · 503.5±33.0 °C(Predicted)
比重(密度): 1.203 · 1.203(20.0000℃)
貯蔵温度: 2 · 2-8°C
溶解性: クロロホルム（微量）、酢酸エチル（微量）
外見: 結晶性粉末
色: 白い
水溶解度: 水にやや溶けにくい。
BRN: 2759875 · 2759875
InChI: InChI=1S/C24H25O2P/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/h4-19H,1-3H3
InChIKey: ZWZUFQPXYVYAFO-UHFFFAOYSA-N
SMILES: C(OC(C)(C)C)(=O)C=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
CAS データベース: 35000 · 35000-38-5(CAS DataBase Reference)

化学的性質

化学的特性white crystalline powder

安全と法規制

GHS分類

GHS Classification · 6 件

Danger

H301: Toxic if swallowed [Danger Acute toxicity, oral]

P260, P261, P264, P264+P265, P270, P272, P273, P280, P301+P316, P302+P352, P305+P351+P338, P319, P321, P330, P333+P317, P337+P317, P362+P364, P391, P405, and P501 (click each P-code to see the statement)

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

P260, P261, P264, P264+P265, P270, P272, P273, P280, P301+P316, P302+P352, P305+P351+P338, P319, P321, P330, P333+P317, P337+P317, P362+P364, P391, P405, and P501 (click each P-code to see the statement)

危険有害性情報

Regulatory Information · 2 件

Status: Active Update: 14-07-2011 https://echa.europa.eu/registration-dossier/-/registered-dossier/8481

t-Butyl (triphenylphosphoranylidene) acetate: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and Categories · 4 件

Acute Tox. 3 (100%)

Acute toxicity - category 3

Acute Tox. 3 *

安全データ

wgk: 3
ridadr: UN 3464 6.1/PG 2
hs_code: 29319090
risk_code: 25-36-43-48/22-51/53
hazard_code: T,N
safety_code: 26-36/37/39-45-61
hazard_class: 6.1
packing_group: III
Hazard Classifications: Acute Tox. 3 OralAquatic Chronic 2Eye Irrit. 2Skin Sens. 1STOT RE 2
ストレージクラス: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects

化学と産業

応用分野 · 1 件

使用(tert-Butoxycarbonylmethylene)triphenylphosphorane is a chemical used in the synthesis of aldose reductase inhibitors, a podophyllotoxin derivative and tautomycin, a podophyllotoxin derivative and tautomycin. It Is also used in medicinal chemistry.