tert-Butyl diethylphosphonoacetate (HCID 2773685)

이름 및 식별자

우선 이름: tert-Butyl diethylphosphonoacetate
IUPAC: tert-butyl 2-diethoxyphosphorylacetate
영어명: tert-Butyl diethylphosphonoacetate
분자식: C10H21O5P
분자량: 252.24

이름 및 동의어

27784-76-5tert-Butyl diethylphosphonoacetateDTXSID40378639T-BUTYL DIETHYL PHOSPHONOACETATERefChem:894656DTXCID40329666678-186-3695-158-6tert-butyl 2-(diethoxyphosphoryl)acetatetert-butyl 2-diethoxyphosphorylacetateDiethyl (Boc-methyl)phosphonateMFCD00075414

이름 더 보기

tert-Butyl diethylphTert-buty diethylphosphonoacetatetert-Butyl diethylphosponoacetateTert-butyl diethylphosphonoactateTert-butyl diehylphosphonoacetateTert-butyl diethyl phosphonylacetate

tert-Butyl 2-(diethylphosphono)acetatet-butyl diethylphosphonoacetateC10H21O5Ptert-butyl (diethoxyphosphoryl)acetateACETIC ACID, 2-(DIETHOXYPHOSPHINYL)-, 1,1-DIMETHYLETHYL ESTERDiethylphosphonoacetic Acid tert-Butyl Estert-butyl (diethoxyphosphoryl)acetateDS-2306

데이터베이스 식별자

CAS: 27784-76-5
PubChem CID: 2773685
DTXSID: DTXSID40378639
EC Number: 678-186-3、695-158-6
Nikkaji: J449.954I

물성

구조 계산 물성

XLogP: 1.1
극성 표면적: 61.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 5
회전 가능 결합 수: 8
무거운 원자 수: 16
형식 전하: 0
복잡도: 259

물리화학적 성질

끓는 점: 100 · 100-103 °C/1.5 mmHg (lit.)
밀도: 1.074 g/mL · 1.074 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.431(lit.)
인화점: 230 °F · >230 °F
저장 조건: Inert atmosphere,Room Temperature
용해도: 클로로포름(약간 용해됨), 에틸아세테이트(약간 용해됨)
물리적 상태: 액체
Specific Gravity: 1.074 · 1.074
색상: 무색의
수용성: 물에 섞이거나 혼합하기 어렵지 않습니다.
BRN: 2050126 · 2050126
InChI: InChI=1S/C10H21O5P/c1-6-13-16(12,14-7-2)8-9(11)15-10(3,4)5/h6-8H2,1-5H3
InChIKey: NFEGNISFSSLEGU-UHFFFAOYSA-N
SMILES: C(OC(C)(C)C)(=O)CP(OCC)(OCC)=O

화학적 성질

Clear colorless liquid

안전 및 규제

GHS 분류

GHS Classification · 6건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

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

Aggregated GHS information provided per 9 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

유해성 정보

Hazard Classes and Categories · 2건

Skin Irrit. 2 (100%)

Eye Irrit. 2 (100%)

안전 데이터

wgk: 3
HS 번호: 29319090
risk_code: 36/38
safety_code: 26-36-24/25
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

응용 분야 · 1건

용도tert-Butyl diethylphosphonoacetate is used as a reactant for preparation of hydroxymethylated dihydroxyvitamin D3 analogs via Wittig-Horner approach, as potential antitumor agents, synthesis of phosphopeptide mimetic prodrugs targeted to Src homology 2 (SH2) domain of signal transducer and activator of transcription 3 (Stat 3) and bicyclic triaminophosphine-promoted stereoselective synthesis of a,-unsaturated esters, fluorides, and nitriles from aldehydes and ketones using Wadsworth-Emmons phosphonates