甲氧甲酰基亚甲基三苯基膦

Acetic acid, 2-(triphenylphosphoranylidene)-, methyl ester

HCID 17453CAS 2605-67-6

子结构检索查找相似结构

基本信息

标准SMILES: COC(=O)C=P(c1ccccc1)(c1ccccc1)c1ccccc1
InChIKey: NTNUDYROPUKXNA-UHFFFAOYSA-N
分子式: C21H19O2P
平均分子量: 334.3 g/mol
单同位素质量: 334.11226648

名称与标识

首选名称: Acetic acid, 2-(triphenylphosphoranylidene)-, methyl ester
IUPAC: methyl 2-(triphenyl-λ5-phosphanylidene)acetate
中文名: 甲氧甲酰基亚甲基三苯基膦
英文名: Methyl (triphenylphosphoranylidene)acetate
分子式: C21H19O2P
分子量: 334.35

名称与别名

2605-67-6Methyl (triphenylphosphoranylidene)acetate(Carbomethoxymethylene)triphenylphosphoraneAcetic acid, (triphenylphosphoranylidene)-, methyl ester(Triphenylphosphoranylidene)acetic acid methyl esterMethyl triphenylphosphoranylideneacetateTriphenyl(carbomethoxymethylene)phosphoraneAcetic acid, 2-(triphenylphosphoranylidene)-, methyl esterEINECS 220-018-4((Methoxycarbonyl)methylene)triphenylphosphorane[(Methoxycarbonyl)methylene]triphenylphosphoraneNSC 117573

展开更多名称

三苯基膦乙酸甲酯甲基三苯基膦乙酯甲氧甲酰基亚甲基三氧羰基亚甲基三苯基正磷三苯基亚正磷基乙酸甲酯(三苯基膦烯)乙酸甲酯(三苯基膦烯基)乙酸甲酯甲氧甲酰基亚甲基三苯基磷甲氧羰基亚甲基三苯基正膦甲氧甲酰基亚甲基三苯基膦(METHOXYCARBONYLMETHYLENE)TRIPHENYLPHOSPHORANEmethyl 2-(triphenyl-λ-phosphanylidene)acetateCMETPPAURORA KA-874idene)acetatemethyl 2-(triphenyl-Aceticacid,(triphenylphosphoranylideneMethyl (triphenylphosphoranylidene)acet

NSC 407395DTXSID6062549RefChem:552122DTXCID5037440220-018-4InChI=1/C21H19O2P/c1-23-21(22)17-24(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-17H,1HMethyl 2-(triphenylphosphoranylidene)acetateCARBOMETHOXYMETHYLENE TRIPHENYLPHOSPHORANE

数据库标识

CAS: 2605-67-6
PubChem CID: 17453
DTXSID: DTXSID6062549
ChEMBL: CHEMBL1715161
UNII: D9MZ753Q8K
EC Number: 220-018-4
Nikkaji: J24.865G

性质

结构计算性质

XLogP: 4
极性表面积: 26.3 Å²
氢键供体: 0
氢键受体: 2
可旋转键: 5
重原子: 24
形式电荷: 0
复杂度: 400

实验与物化性质

SpringerMaterials PropertiesCrystal structure

物理化学性质

熔点: 168 · 168-172 °C (lit.)
沸点: 165 · 165~170℃
密度: 1.17 · 1.17±0.1 g/cm3(Predicted)
储存条件: Keep in dark place,Sealed in dry,Room Temperature
溶解度: Acetonitrile (Slightly), Chloroform (Slightly)
形态: Powder
颜色: White to off-white
水溶解性: insoluble
敏感性: Air Sensitive
BRN: 618430 · 618430
InChI: InChI=1S/C21H19O2P/c1-23-21(22)17-24(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-17H,1H3
InChIKey: NTNUDYROPUKXNA-UHFFFAOYSA-N
SMILES: C(OC)(=O)C=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
CAS 数据库: 2605 · 2605-67-6(CAS DataBase Reference)
EPA化学物质信息: Acetic acid, (triphenylphosphoranylidene)-, methyl ester (2605-67-6)

安全与法规

GHS分类

GHS Classification · 5 条

This chemical does not meet GHS hazard criteria for 50% (2 of 4) of reports.

Danger

H301 (50%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危害信息

Regulatory Information · 2 条

Chemical: Acetic acid, (triphenylphosphoranylidene)-, methyl ester

Status: Active Update: 21-05-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/28364

Hazard Classes and CategoriesAcute Tox. 3 (50%)

安全数据

wgk: 3
tsca: TSCA listed
hazard_note: Irritant
存储类别: 11 - Combustible Solids
安全说明: 22-24/25-36-26
海关编码: 29319090
危险品标志: T,Xi
危险类别码: 36/37/38-25

化学与工业

用途与制造

General Manufacturing InformationAcetic acid, 2-(triphenylphosphoranylidene)-, methyl ester: ACTIVE

应用领域

用途Wittig试剂，用于把二碳醛合成α，β-不饱和酯。也可用在三乙胺存在下，高效合成与甲基吡唑的重氮反应

上下游产品信息

下游产品

2-(7-羟基苯并呋喃-3-基)乙酸甲酯

试剂价格

A14020 · 25g: (甲氧基羰基亚甲基)三苯基膦烷, 98%(Methoxycarbonylmethylene)triphenylphosphorane, 98% — 392元
16956 · 25g: 甲氧羰基亚甲基三苯基正磷Methyl (triphenylphosphoranylidene)acetate, 98%, Thermo Scientific™ — 653元