DIETHYLPHOSPHONOACETIC ACID

DIETHYLPHOSPHONOACETIC ACID 구조식 이미지
카스 번호:
3095-95-2
상품명:
DIETHYLPHOSPHONOACETIC ACID
동의어(영문):
2-(diethoxyphosphoryl)acetic acid;NSC 272281;Diethyl sulfonic acid;Venadaparib Impurity 39;acetyl diethyl phosphate;Diethylphosphoacetic acid;(diethoxyphosphoryl)acetate;DIETHYLPHOSPHONOACETIC ACID;2-diethoxyphosphorylacetate;DIETHYLPHOSPHONOETHANOIC ACID
CBNumber:
CB9724914
분자식:
C6H13O5P
포뮬러 무게:
196.14
MOL 파일:
3095-95-2.mol

DIETHYLPHOSPHONOACETIC ACID 속성

끓는 점
150 °C/0.05 mmHg (lit.)
밀도
1.220 g/mL at 25 °C (lit.)
굴절률
n20/D 1.445(lit.)
인화점
>230 °F
저장 조건
Keep in dark place,Sealed in dry,Room Temperature
물리적 상태
점성 액체
산도 계수 (pKa)
3.48±0.10(Predicted)
색상
무색~황색으로 투명함
Specific Gravity
1.220
InChI
InChI=1S/C6H13O5P/c1-3-10-12(9,11-4-2)5-6(7)8/h3-5H2,1-2H3,(H,7,8)
InChIKey
DVQMPWOLBFKUMM-UHFFFAOYSA-N
SMILES
C(O)(=O)CP(OCC)(OCC)=O
안전
  • 위험 및 안전 성명
  • 위험 및 사전주의 사항 (GHS)
위험품 표기 Xn
위험 카페고리 넘버 22-36/37/38
안전지침서 37/39-26
WGK 독일 3
HS 번호 29319090
그림문자(GHS): GHS hazard pictograms
신호 어: Warning
유해·위험 문구:
암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드
H302 삼키면 유해함 급성 독성 물질 - 경구 구분 4 경고 GHS hazard pictograms P264, P270, P301+P312, P330, P501
H315 피부에 자극을 일으킴 피부부식성 또는 자극성물질 구분 2 경고 GHS hazard pictograms P264, P280, P302+P352, P321,P332+P313, P362
H319 눈에 심한 자극을 일으킴 심한 눈 손상 또는 자극성 물질 구분 2A 경고 GHS hazard pictograms P264, P280, P305+P351+P338,P337+P313P
H335 호흡 자극성을 일으킬 수 있음 특정 표적장기 독성 - 1회 노출;호흡기계 자극 구분 3 경고 GHS hazard pictograms
예방조치문구:
P261 분진·흄·가스·미스트·증기·...·스프레이의 흡입을 피하시오.
P305+P351+P338 눈에 묻으면 몇 분간 물로 조심해서 씻으시오. 가능하면 콘택트렌즈를 제거하시오. 계속 씻으시오.

DIETHYLPHOSPHONOACETIC ACID C화학적 특성, 용도, 생산

개요

Diethylphosphonoacetic 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].

화학적 성질

clear colorless to yellow viscous liquid

용도

Diethylphosphonoacetic 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.

생산 방법

Diethylphosphonoacetic 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).
DIETHYLPHOSPHONOACETIC ACID synthesis

Synthesis Reference(s)

Journal of the American Chemical Society, 102, p. 4534, 1980 DOI: 10.1021/ja00533a047

DIETHYLPHOSPHONOACETIC ACID 준비 용품 및 원자재

원자재

준비 용품


DIETHYLPHOSPHONOACETIC ACID 공급 업체

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