기본 정보
- CAS
20061-84-1- 표준 SMILES
CCOP(=O)(C=CNC1CCCCC1)OCC- InChIKey
GCOCYGLSBKOTBU-UHFFFAOYSA-N- 분자식
- C12H24NO3P
- 평균 분자량
- 261.3 g/mol
- 단동위원소 질량
- 261.14938026
개요
See also: Diethyl cyclohexylaminovinylphosphonate (annotation moved to).
이름 및 식별자
- 우선 이름
- Diethyl [2-(cyclohexylamino)vinyl]phosphonate
- IUPAC
- N-(2-diethoxyphosphorylethenyl)cyclohexanamine
- 현지명
- 디에틸시클로헥실라미노비닐포스페이트
- 영어명
- Diethyl cyclohexylaminovinyl phosphate
- 분자식
- C12H24NO3P
- 분자량
- 261.3
이름 및 동의어
Diethyl (2-(cyclohexylamino)vinyl)phosphonateEINECS 243-492-4NSC 165750Diethyl [2-(cyclohexylamino)vinyl]phosphonateRefChem:586999243-492-420061-84-1diethyl [2-(cyclohexylamino)ethenyl]phosphonateN-(2-diethoxyphosphorylethenyl)cyclohexanamineDiethyl 2-(cyclohexylamino)vinylphosphonateDiethyl-2-(cyclohexylamino)-vinylphosphonate;Phosphonic acid, P-[2-(cyclohexylamino)ethenyl]-, diethyl ester
이름 더 보기
디에틸시클로헥실라미노비닐포스페이트Diethyl cyclohexylaminovinyl phosphateDIETHYL CYCLOHEXYLAMINOVINYLPHOSPHONATEdiethyl 2-(cyclohexylimino)ethylphosphonateDiethyl b-(Cyclohexylimino)ethylphosphonatediethyl (E)-(2-(cyclohexylamino)vinyl)phosphonateN-[(E)-2-diethoxyphosphorylethenyl]cyclohexanamine(E)-diethyl (2-(cyclohexylaMino)vinyl) phosphonateCYCLOHEXYLAMINOETHENEPHOSPHORIC ACID DIETHYL ESTER[2-(Cyclohexylamino)-vinyl]-phosphonic acid diethyl ester
물성
구조 계산 물성
- XLogP
- 2.7
- 극성 표면적
- 47.6 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 17
- 형식 전하
- 0
- 복잡도
- 265
물리화학적 성질
- 녹는점
- 58 · 58-61 °C
- 끓는 점
- 151 · 151-152 °C(Press: 0.04 Torr)
- 밀도
- 1.05 · 1.05±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 5.3 · 5.30±0.70(Predicted)
- 물리적 상태
- crystalline solid
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 2.4% (1 of 41) of reports.
Danger
H314 (95.1%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 3 notifications to the ECHA C&L Inventory.
유해성 정보
Hazard Classes and CategoriesSkin Corr. 1B (95.1%)
안전 데이터
- 신호 어
- Warning
- 유해·위험 문구
- 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H314
화학 및 산업
응용 분야
용도Diethyl β-(Cyclohexylimino)ethylphosphonate is used as a reagent for formylalkenation at carbonyl centers.[1]
제조 방법
Preparative Methods of Diethyl β-(Cyclohexylimino)ethylphosphonate: (EtO)2CHCH2P(O)(OEt)2 is prepared by reaction of Triethyl Phosphite with BrCH2CH(OEt)2. Acetal hydrolysis affords diethyl formylmethylphosphonate, which is combined with an equimolar quantity of cyclohexylamine in MeOH. The product is isolated by fractional distillation in the presence of K2CO3, to prevent acid-catalyzed dimerization, and at reduced pressure, followed by crystallization from cold pentane.[1b] Yields are 65-75%. A modified procedure for imine formation uses MeCN as solvent with isolation of product from Et2O at -40 °C to afford white crystalline material in 70% yield.[2]
공급사4 곳
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
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