(Diethoxyphosphinyl)acetic acid

HCID 36704CAS 3095-95-2

기본 정보

표준 SMILES
CCOP(=O)(CC(=O)O)OCC
InChIKey
DVQMPWOLBFKUMM-UHFFFAOYSA-N
분자식
C6H13O5P
평균 분자량
196.14 g/mol
단동위원소 질량
196.05006015

이름 및 식별자

우선 이름
(Diethoxyphosphinyl)acetic acid
IUPAC
2-diethoxyphosphorylacetic acid
영어명
Diethylphosphonoacetic acid
분자식
C6H13O5P
분자량
196.14

이름 및 동의어

3095-95-2DIETHYL PHOSPHONOACETATE(Diethoxyphosphinyl)acetic acidNSC-2722816L31G8862ZRefChem:1050847608-560-32-(Diethoxyphosphoryl)acetic acidDiethylphosphonoacetic acid2-diethoxyphosphorylacetic acidDiethyl CarboxymethylphosphonateAcetic acid, 2-(diethoxyphosphinyl)-
이름 더 보기
NSC 272281Diethyl sulfonic acidVenadaparib Impurity 39Mirogabalin Impurity 60acetyl diethyl phosphateDiethylphosphoacetic acid2-diethoxyphosphorylacetate(diethoxyphosphoryl)acetate
MFCD00192032(Diethoxyphosphoryl)acetic acid2-(Diethoxyphosphinyl)acetic acidAcetic acid, (diethoxyphosphinyl)-diethoxyphosphorylacetic acidNSC2722812-(diethyl phosphono)acetic acidDiethylphosphonoacetic acid, 95%

데이터베이스 식별자

CAS
3095-95-2
PubChem CID
36704
DTXSID
DTXSID10953093
UNII
6L31G8862Z
EC Number
608-560-3
Nikkaji
J80.636F

물성

구조 계산 물성

XLogP
-0.2
극성 표면적
72.8 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
5
회전 가능 결합 수
6
무거운 원자 수
12

물리화학적 성질

끓는 점
150 °C/0.05 · 150 °C/0.05 mmHg (lit.)
밀도
1.22 g/mL · 1.220 g/mL at 25 °C (lit.)
굴절률
20 · n20/D 1.445(lit.)
인화점
230 °F · >230 °F
저장 조건
Keep in dark place,Sealed in dry,Room Temperature
물리적 상태
점성 액체

화학적 성질

clear colorless to yellow viscous liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (87.8%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 49 reports by companies from 6 notifications to the ECHA C&L Inventory.

유해성 정보

Regulatory InformationStatus: Active Update: 06-05-2015 https://echa.europa.eu/registration-dossier/-/registered-dossier/5850
Hazard Classes and CategoriesAcute Tox. 4 (87.8%)

안전 데이터

wgk
3
HS 번호
29319090
risk_code
22-36/37/38
hazard_code
Xn
safety_code
37/39-26
Hazard Classifications
Acute Tox. 4 Oral

화학 및 산업

응용 분야 · 2건

개요Diethylphosphonoacetic Acid (DPA) is a Horner-Wadsworth-Emmons (HWE) reagent. The mixed anhydride of trifluoroacetic acid—diethylphosphonoacetic acid Treat a 21-hydroxy-20-keto steroid leads directly to cardenolides by an intramolecular Horner-Emmons reaction. It could also used as a dummy template to prepare a molecularly imprinted polymer for use as an artificial receptor for organophosphorus pesticides (OPPs)[1-3].

용도Diethylphosphonoacetic Acid is a reagent that is used for enantioselective preparation of α-phosphoryl-α,β-unsatd.-δ-aryl-δ-lactones from nonracemic β-hydroxyaldehydes and their conversion to α-methylene-δ-aryl-δ-lactones.

제조 방법 · 1건

생산 방법Diethylphosphonoacetic acid is synthesised using triethyl phosphonoacetate as a raw material by chemical reaction. The specific synthesis steps are as follows:After dissolving triethyl phosphonoacetate (1.7 g, 7.5 mmol) in ethanol / water (15 mL ie 14: 1) at room temperature, potassium hydroxide (424.2 mg, 7.56 mmol, ) 6597-4400) was added and stirred at room temperature. The reaction was neutralized with 1N HCl to pH 4, the ethanol was removed by distillation under reduced pressure, diluted with chloroform (20 mL), washed with water (10 mL) and saturated brine (10 mL). The separated organic layer was dried over anhydrous sodium sulfate, filtered and distilled under reduced pressure to obtain 2-(diethoxyphosphoryl)acetic acid 4 (1.48 gm, 100percent).

공급사50 곳

上海凛南医药科技有限公司15900633975;13262632028
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
湖北金梭生物科技有限公司00123456789 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]

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