CAS 87460-09-1 Benzyl [hydroxy-(4-phenylbutyl)phosphinyl] acetate (HCID 13187470)

基本情報

CAS: 87460-09-1
標準SMILES: O=C(CP(=O)(O)CCCCc1ccccc1)OCc1ccccc1
InChIKey: GVDMCYBWLREELG-UHFFFAOYSA-N
分子式: C19H23O4P
平均分子量: 346.4 g/mol
単同位体質量: 346.13339585

名称と識別子

優先名称: Benzyl [hydroxy-(4-phenylbutyl)phosphinyl] acetate
IUPAC: (2-oxo-2-phenylmethoxyethyl)-(4-phenylbutyl)phosphinic acid
現地名: 〔ヒドロキシ(4-フェニルブチル)ホスフィニル〕酢酸フェニルメチルエステル
英語名: Benzyl hydroxy(4-phenylbutyl)phosphinoylacetate
分子式: C19H23O4P
分子量: 346.36

名称と別名

BENZYL [HYDROXY-(4-PHENYLBUTYL)PHOSPHINYL] ACETATEEC 416-050-5benzyl (hydroxy-(4-phenylbutyl)phosphinyl) acetateRefChem:566545416-050-587460-09-1Benzyl hydroxy(4-phenylbutyl)phosphinoylacetate(2-(Benzyloxy)-2-oxoethyl)(4-phenylbutyl)phosphinic acidBenzyl Hydroxy(4-phenylbutyl)phosphinoacetate(2-oxo-2-phenylmethoxyethyl)-(4-phenylbutyl)phosphinic acidMFCD09033183[2-(Benzyloxy)-2-oxoethyl](4-phenylbutyl)phosphinic acid

名称をさらに表示

〔ヒドロキシ(4-フェニルブチル)ホスフィニル〕酢酸フェニルメチルエステル[hydroxy-(4-phenylbutyl)phosphinyl]acetic acid phenylmethyl esterBenzyl hydroxy(4-phe[Hydroxyl-(4-Butylbenzene)Fosinopril intermediate AAHYDROXYL(4-PHENYLBUTYL)PHOSPHINYL]BENZYL ACETATEHYDROXYL(4-PHENYLBUTYL)PJOSPHINYL]BENZYL ACETATEBenzyl 2-[hydroxy(4-phenylbutyl)phosphinyl]acetate

(2-(Benzyloxy)-2-oxoethyl)-(4-phenylbutyl)phosphinic acidBENZYL [HYDROXY-(4-PHENYL-BUTYL)-PHOSPHINOYL]-ACETATE[Hydroxy(4-phenylbutyl)phosphinyl]acetic acid, phenylmethyl ester2-[Hydroxy(4-phenylbutyl)phosphinyl]acetic Acid 1-(Phenylmethyl) EsterC19H23O4P2-(BENZYLOXY)-2-OXOETHYL(4-PHENYLBUTYL)PHOSPHINIC ACIDAcetic acid, [hydroxy(4-phenylbutyl)phosphinyl]-, phenylmethyl ester(2-(Benzyloxy)-2-oxoethyl)(4-phenylbutyl)phosphinicacid

物性

構造計算による物性

XLogP: 3
極性表面積: 63.6 Å²
水素結合供与体数: 1
水素結合受容体数: 4
回転可能結合数: 10
重原子数: 24
形式電荷: 0
複雑度: 412

物理化学的性質

融点: 65 · 65-67°C
沸点: 581.6 · 581.6±43.0 °C(Predicted)
比重(密度): 1.191 · 1.191±0.06 g/cm3(Predicted)
貯蔵温度: 2 · Sealed in dry,2-8°C
溶解性: 酢酸エチル、メタノール
外見: 個体
酸解離定数(Pka): 2.52 · 2.52±0.50(Predicted)
色: 白い
CAS データベース: 87460 · 87460-09-1(CAS DataBase Reference)

化学的性質

化学的特性White Solid

安全と法規制

GHS分類

GHS Classification · 6 件

Danger

H318: Causes serious eye damage [Danger Serious eye damage/eye irritation]

P264+P265, P280, P305+P354+P338, and P317 (click each P-code to see the statement)

Danger

H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

P264+P265, P280, P305+P354+P338, and P317 (click each P-code to see the statement)

危険有害性情報

Regulatory InformationStatus: Active Update: 09-12-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/14004

Hazard Classes and Categories · 3 件

Eye Dam. 1 (100%)

Eye damage - category 1

Eye Dam. 1

安全データ

risk_code: 41
hazard_code: Xi
safety_code: 26-36/39

化学と産業

応用分野

使用Intermediate in the synthesis of angiotensin and fosinopril. Impurity in the preparation of Fosinopril Sodium.

サプライヤー60 社

Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]

艾吉析科技（上海）有限公司17717235263 · [email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]

Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

化合物ノート

読み込み中…

〔ヒドロキシ(4-フェニルブチル)ホスフィニル〕酢酸フェニルメチルエステル