Methyl diethylphosphonoacetate
기본 정보
- CAS
1067-74-9- 표준 SMILES
CCOP(=O)(CC(=O)OC)OCC- InChIKey
CTSAXXHOGZNKJR-UHFFFAOYSA-N- 분자식
- C7H15O5P
- 평균 분자량
- 210.16 g/mol
- 단동위원소 질량
- 210.06571021
이름 및 식별자
- 우선 이름
- Methyl diethylphosphonoacetate
- IUPAC
- methyl 2-diethoxyphosphorylacetate
- 영어명
- Methyl diethylphosphonoacetate
- 분자식
- C7H15O5P
- 분자량
- 210.16
이름 및 동의어
Methyl diethylphosphonoacetate1067-74-9Acetic acid, (diethoxyphosphinyl)-, methyl esterEINECS 213-938-2methyl (diethylphosphono)acetateNSC 147757DTXSID50147732RefChem:817722DTXCID6070223Diethyl methoxycarbonylmethanephosphonate213-938-2methyl 2-(diethoxyphosphoryl)acetate
이름 더 보기
POMEdiethyl methoxycarbonylmethyl phosphonateAPAZ-027LABOTEST-BB LT00452673Mirogabalin Impurity 59Methyl 2-(diethoxyphosphoryl)
methyl 2-diethoxyphosphorylacetateC7H15O5PMethyl (diethoxyphosphoryl)acetateMFCD00009081DiethylmethylphosphonoacetateDiethylphosphonoacetic Acid Methyl Ester(Methoxycarbonylmethyl) diethoxyphosphine oxideMethyl P,P-diethylphosphonoacetate
데이터베이스 식별자
- CAS
1067-74-9- PubChem CID
- 66113
- DTXSID
DTXSID50147732- EC Number
- 213-938-2
- Nikkaji
- J21.052H
물성
구조 계산 물성
- XLogP
- 0.1
- 극성 표면적
- 61.8 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 13
- 형식 전하
- 0
- 복잡도
- 193
물리화학적 성질
- 끓는 점
- 127 · 127-131 °C9 mm Hg(lit.)
- 밀도
- 1.145 g/mL · 1.145 g/mL at 25 °C(lit.)
- 굴절률
- 20 · n20/D 1.433(lit.)
- 인화점
- 230 °F · >230 °F
- 저장 조건
- Sealed in dry,Room Temperature
- 용해도
- 테트라히드로푸란과 혼합 가능.
- 물리적 상태
- 액체
- 색상
- 무색투명~엷은 노란색
- BRN
- 1782397 · 1782397
- InChI
- InChI=1S/C7H15O5P/c1-4-11-13(9,12-5-2)6-7(8)10-3/h4-6H2,1-3H3
- InChIKey
- CTSAXXHOGZNKJR-UHFFFAOYSA-N
- SMILES
- C(OC)(=O)CP(OCC)(OCC)=O
- NIST
- Acetic acid, phosphono-, p,p-diethyl c-methyl ester(1067-74-9)
화학적 성질
Clear colorless to slightly yellow liquid
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H315 (97.9%): 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 48 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory InformationDiethyl methoxycarbonylmethanephosphonate: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Irrit. 2 (97.9%)
안전 데이터
- wgk
- 3
- HS 번호
- 29310095
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
- F 고인화성물질
- 10
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2
- 스토리지 클래스
- 10 - Combustible liquids
화학 및 산업
응용 분야
용도Methyl diethylphosphonoacetate is used as a reagent in the preparation of allylic fluorides compounds and in regioselective Diels-Alder reactions. It also serves as a reactant in the preparation of substituted thiophenes and furans, which finds application in type 2 diabetes treatment. Further, it acts as a precursor in the synthesis of pyridone alkaloids and immunosuppressive cyclopentanediol derivatives. In addition to this, it is utilized in the modification of botulinum neurotoxin serotype A protease inhibitors.
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