1-(트리페닐포스포라닐리덴)-2-프로파논

1-(Triphenylphosphoranylidene)acetone

HCID 15038CAS 1439-36-7

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CC(=O)C=P(c1ccccc1)(c1ccccc1)c1ccccc1
InChIKey: KAANTNXREIRLCT-UHFFFAOYSA-N
분자식: C21H19OP
평균 분자량: 318.3 g/mol
단동위원소 질량: 318.11735186

이름 및 식별자

우선 이름: 1-(Triphenylphosphoranylidene)acetone
IUPAC: 1-(triphenyl-λ5-phosphanylidene)propan-2-one
현지명: 1-(트리페닐포스포라닐리덴)-2-프로파논
영어명: (Acetylmethylene)triphenylphosphorane
분자식: C21H19OP
분자량: 318.35

이름 및 동의어

2-Propanone, 1-(triphenylphosphoranylidene)-1-(Triphenylphosphoranylidene)acetoneAcetylmethylenetriphenylphosphoraneRefChem:428861215-878-21439-36-7(Acetylmethylene)triphenylphosphorane1-(Triphenylphosphoranylidene)propan-2-one1-(Triphenylphosphoranylidene)-2-propanoneMFCD00008774(Acetonylidenetriphenyl)phosphorane(Acetylmethylene)triphenylphosphine

이름 더 보기

1-(트리페닐포스포라닐리덴)-2-프로파논1-트라이페닐포스포라닐이덴-2-프로판온triphenylphosphoranylidene-2-propanon(2-Oxopropylidene)triphenylphosphoraneNSC 4073941-(TriphenyLphosphoranyLAURORA KA-1177idene)-2-propanoneTriphenyl(acetylMethylene)phospho

(Triphenylacetylmethylene)phosphorane2-Propanone, (triphenylphosphoranylidene)-C21H19OP1-(triphenyl-lambda5-phosphanylidene)propan-2-oneAcetylmethylene-triphenylphosphoraneAI3-63066EINECS 215-878-2Triphenylphosphoranylidene-2-propanone

데이터베이스 식별자

CAS: 1439-36-7
PubChem CID: 15038
DTXSID: DTXSID60162572
EC Number: 215-878-2
Nikkaji: J40.756I

물성

구조 계산 물성

XLogP: 3.6
극성 표면적: 17.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 4
무거운 원자 수: 23
형식 전하: 0
복잡도: 382

실험 및 물리화학적 성질

SpringerMaterials PropertiesChemical shift

물리화학적 성질

녹는점: 203 · 203-205 °C (lit.)
끓는 점: 478.5 · 478.5±28.0 °C(Predicted)
밀도: 1.14 · 1.14
저장 조건: Inert atmosphere,Room Temperature
용해도: 클로로포름에 용해됩니다. 메탄올에 약간 용해됩니다.
물리적 상태: 가루
색상: 흰색에서 황백색까지
BRN: 750077 · 750077
안정성: 안정적인. 타기 쉬운. 강한 산화제와 호환되지 않습니다.
InChI: InChI=1S/C21H19OP/c1-18(22)17-23(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-17H,1H3
InChIKey: KAANTNXREIRLCT-UHFFFAOYSA-N
SMILES: C(=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1)C(=O)C

화학적 성질

white to light beige crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 4건

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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 2건

Chemical: 2-Propanone, 1-(triphenylphosphoranylidene)-

Acetylmethylenetriphenylphosphorane: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
rtecs: UC3900000
HS 번호: 29319090
risk_code: 22-36/37/38
safety_code: 22-24/25
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 1건

용도(Acetylmethylene)triphenylphosphorane is used as a Wittig reagent in synthetic chemistry, especially for the synthesis of functionalized pyrrolidines and cyclobutanones. It plays as a vital role in asymmetric allylboration for enantioselective synthesis of (+)-awajanomycin.It is also employed as a reactant in the preparation of 1,2-dioxanes with antitrypanosomal activity. Further, it is used in the preparation of amphibian pyrrolizidine alkaloids through allylic aminations and silicon-containing acyclic dienone musk odorants. In addition to this, it is involved in Domino Suzuki/Heck coupling reactions to prepare fluorenylidenes.